uh.

, I fin {Iran}?
33.131313. 3

 

1M1," ”if
11‘1“; $.3ng
11111; .
‘13:“ -3a 1 PA‘ .3255" ‘3 _ ‘ . 1.1 .1. ‘
£13. '?' 'fi " ' 1 ' ' 1:5 " “2'51“ fizfifil‘a?” 2“
u. I" . .2 4% _ ~ ' .3 .. V» 1.3' is» in», #3“. A
l a ‘1: 1‘ 1 ' s ' 1 . 1 1 1 ’ ‘ » . ‘ - w u
33.1253 8““ :31}. ' 1 ' . '-I ' 'l > ' ' ' A u- 3 Fifi"? "
. I; ~ ~

'1 I
3:33:31" I; g}: 2 331313111
1 5

133% 1131i

. fig)‘ 11:11 91
. 1N
"3":"3111L_3

.-. 1.: mug- -.U... 2.4.1.-

311

1.13
1.
31313

.'

‘l
L
1::

f
I"
3.
‘1

fimfwfi‘

_!

«1.3953363
§~£
'r
12:“‘13— . A
. a». —:_; “’5?

:.

$5.433}:
1‘ t
$53511

. ‘fi
4‘;

it}. 31:11": 33431. (2:1
$111111: 1511.1
$53135 3'32» 94.1% $31.32, 1M1
$14311? 9." $55.15 5" "
«if 1113;:- .1321?

"13.93

. sir»: '
@153
gig

~

”ii—1;;
15%.1 .
.42“;

.1.
5"141' '1‘3‘31‘
...
”VJ 5'3

11:3" 0,; 11111

: 1“ f";
" 33333111141 3"
33333,” 1‘ ""33“" H 'r3
1 sdzfiw ‘

 

:93:-
u .

1" '3'213133

33313123 -
'3
. 13

“re

.11"; 111‘

15
3313,4111;

i=3”. u _.
..-.~ , :1

1 ‘3 '
In!" 5". "Wm-1

33"; :1
553
$5 :51?“
3'"?

Air-‘21“

Fé

11111, 12
3'1'"'o(3
13 1

ӣ1

ram“;

is?" "

Ag?“

4.,

33355133 3‘
13";

' 122-.“

Y
3.1

" n..'§}’3;..
V“ 1
.W

akAu

uni-11.1

.-A f‘ A

111‘ 1131131“
351:1"1‘131313'33

.3~;
1.3,.
ifhg‘; ‘ .

 

‘i‘l-iESlS

M—

LIBRARY
Michigan State
1 University

 

"w

This is to certify that the

dissertation entitled

AN ANALYSIS OF THE V2 FUNDAMENTAL INFRARED

ABSORPTION BANDS OF H28 AND HZSe

presented by

William Charles Lane

has been accepted towards fulfillment
of the requirements for

Pfi ) degreein Fflyg/(S.

 

 

-WWV

Major professor

 

Date ////?,/ 997%

MSU is an Affirmative Action/Equal Opportunity Institution 0-12771

 

 

 

MSU

LIBRARIES
m

\o

 

 

RETURNING MATERIALS:
Place in book drop to
remove this checkout from
your record. FINE§_will
be charged if book is
returned after the date
stamped below.

 

 

 

 

 

AN ANALYSIS OF THE V2 FUNDAMENTAL INFRARED

ABSORPTION BANDS OF H28 AND HZSe

BY

William Charles Lane

A DISSERTATION

Submitted to
Michigan State University
in partial fulfillment of the requirements

for the degree of

DOCTOR OF PHILOSOPHY

Department of Physics and Astronomy

1984

3551 I We

ABSTRACT

AN ANALYSIS OF THE V2 FUNDAMENTAL INFRARED

ABSORPTION BANDS OF H28 AND H28e

BY

William Charles Lane

The v fundamental infrared absorption bands of H S and HZSe were

2 2
run on the 50 cm Fourier transform infrared spectrometer system at the
University of Denver with a resolution limit of 0.04 cm.1 for v of H S

2 2

and 0.025 cm“1 for v2 of HZSe. The two sets of spectra were analyzed at

the Molecular Spectroscopy Laboratory at Michigan State University.

We initially analyzed the H2323 v2 spectrum using Typke’s
Hamiltonian, limited to terms through order P6. We determined ground
state constants for H2328 by fitting our infrared ground state
combination differences (GSCD’s) and the available microwave transitions
of Helminger, Cook, and DeLucia. Keeping the ground state constants
fixed to the values obtained in our ground state fit, we determined
(010) upper state constants for H2328 by a fit of the v2 spectral lines.
We then used an isotopic mass adjustment analysis to simultaneously fit

33 34

S and H S v lines together with the

the small number of observed H2 2 2

many H2328 v2 lines.

Following the report of improved ground state constants for H28 by
Flaud, Camy-Peyret, and Johns, we reanalyzed the v2 band of H28 with
Watson’s A—reduced Hamiltonian, including terms through order P8. Using

their H 323, H 33S, and H 343 ground state constants we determined (010)

2 2 2

upper state constants for each of the three isotopic species of H28 by

separately fitting the H2328, H2338 and H2345 v2 spectral lines.

We similarly analyzed the v2 spectra of the five most abundant
isotopic species of H28e as individual spectra, using Watson’s Arreduced
Hamiltonian. To analyze the small number of assigned H27ASe v2 lines,

we used the method of isotopic mass adjustment to analyze the ground

states and the (010) upper states of the six stable isotopic species of

HZSe.

TO MY PARENTS

FRANKLIN CHARLES LANE AND MARY LANE POWELL

ii

ACKNOWLEDGMENTS

I wish to acknowledge my debt to Professor T. H. Edwards for his
time and effort as the director of my research. Professor Paul M.
Parker has also contributed greatly to my knowledge of molecular
spectroscopy by his excellent course and many helpful discussions. My
fellow graduate student, Dale E. Bardin, also provided an invaluable
learning resource in our work on the Michigan State University infrared

spectrometer, for which I am grateful.

Dr. James R. Gillis has also been instrumental in my research,
initially, as a senior graduate student "showing me the ropes," and
later, as a colleague and collaborator on my own research. It was
through his influence as a research associate at the University of
Denver that the infrared spectra which forms the basis of my
dissertation was obtained. I would also like to acknowledge Dr. Francis
S. Bonomo, Dr. Frank J. Murcray and Professor Aaron Goldman of the

University of Denver for their contributions to my research.

I would like to thank the Department of Physics and Astronomy of
Michigan State University, in particular Professor J. S. Kovacs, for
support in the form of teaching assistantships during the early years of
my graduate study. During the remainder of my graduate career my
support was provided by research assistantships with Professor Peter

Signell in the area of instructional design. I am extremely grateful

iii

for this support and the resultant experience with scientific text
processors, through which the production of this dissertation was

greatly simplified.

- Scientific Gas Products, Inc. generously donated the high-purity

H28 used for the spectrum analyzed in this research.

Finally I would like to lovingly express my gratitude to my
parents, Franklin C. Lane and Mary Lane Powell, for their love and
support throughout my life and my graduate career. It was their example
that provided me with the motivation to persevere in the attainment of

my educational goals. I will forever be in their debt.

iv

 

TABLE OF CONTENTS

Page

LIST OF TABLES . . . . . . . . . . . . . . . . . . . . . . . . . . . vii
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1

CHAPTER I. VIBRATION-ROTATION HAMILTONIANS FOR ASYMMETRIC TOP MOLECULES
Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
The General Form of the Hamiltonian . . . . . . . . . . . . . . 4
The Perturbation Expansion . . . . . . . . . . . . . . . . . . . 5
The Vibrational Contact Transformation . . . . . . . . . . . . . 6
Reduction of the Rotational Hamiltonian . . . . . . . . . . . . 7
The Rotational Contact Transformation . . . . . . . . . . . . . 8
Choice of Reductions . . . . . . . . . . . . . . . . . . . . . . 9
Choice of Rotational Representations . . . . . . . . . . . . . ll

Watson’s Determinable Coefficients . . . . . . . . . . . . . . 14

CHAPTER II. ANALYSIS OF V2 OF H28

Introduction . . . . . . . . . . . . . . . . . . . . . . . . . 17

Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . l8

 

CHAPTER III. ANALYSIS OF v2 OF H25e
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . 25
Experimental Details . . . . . . . . . . . . . . . . . . . . . 25

Analysis of Individual Isot0pomers . . . . . . . . . . . . . . 27

Simultaneous Analysis of All Isot0pomers . . . . . . . . . . . 37

SWY AND CONCLUSIONS 0 O O O O O O O O O I O O O I O O O O O O C O 45

RE FERE NCE S O O O O O O O O O O 0 O O O O O O O O O O O O 0 O 0 I 0 0 4 7

APPENDICES
A. Reprint: Analysis of v2 of H28 . . . . . . . . . . . . . . . 50
B. Assigned Transitions of v2 of H28 . . . . . . . . . . . . . 66
C. Weighted Averaged GSCD’s of H2323 . . . . . . . . . . . . . 76

D. Assigned Transitions of v2 of HZSe . . . . . . . . . . . . . 85

E. Weighted Averaged GSCD’s of H28e . . . . . . . . . . . . . 118

F. Subroutine CONVERT . . . . . . . . . . . . . . . . . . . . 146

vi

Table

10

ll

12

13

14

15

16

17

LIST OF TABLES

Rotational Representations

Comparison of H 328 Ground State Constants

2

Ground State Fit of H2328

of H

Individual Upper State Fits of v2 2

S Isot0pomers

Upper State Constants for v2 of H28 Isot0pomers

Determinable Coefficients of H2328

of H Se

Experimental Conditions for v2 2

Se Data Sets

Range of Rotational Quantum Numbers for H2

H276Se Molecular Constants

H277Se Molecular Constants

H 788c

2 Constants

Molecular

80
H2 Se

82
H2 Se

Mblecular Constants

MOlecular Constants

Individual Ground State Fits of H

2Se Isot0pomers

Ground State Constants for Individual Isot0pomers of H28e

v2 Constants for Individual Isot0pomers of HZSe

of H Se

Individual Upper State Fits of v2 2

vii

18

19

20

21

22

Simultaneous Ground State Fit of All H Se Isot0pomers

2

Simultaneous Upper State Fit of v2 of All HZSe Isot0pomers

Molecular and Isotopic Mass Adjustment Constants for v2 of H25e

Ground State Determinable Coefficients of HZSe

(010) Upper State Determinable Coefficients of H28e

Aviii

INTRODUCTION

The molecules hydrogen sulfide, H28, and hydrogen selenide, HZSe,
are two examples of the bent triatomic molecules of the same symmetry
group (C2v)’ as the water vapor molecule, H20. H28 in particular is an
important constituent of planetary atmospheres. On earth H28 is a
pollutant, produced both naturally and by the burning of
sulfur-containing fossil fuels, and is a contributing factor in the
formation of acid rain. On the larger planets of our solar system,

notably Jupiter, H S is a major atmospheric component (I). A more

2
complete knowledge of its infrared absorption spectrum will contribute

to the understanding of the chemistry of planetary atmospheres.

The analysis in this dissertation completes a study of the three
fundamental vibration-rotation infrared bands of these two molecules at
Michigan State University. Over the years, the Molecular Spectroscopy
Laboratory at Michigan State University has develOped methods of
analysis and computer programs suitable for analyzing high-resolution
infrared spectra. Before this particular research was begun, the
conclusions that had been drawn about the best methods of analysis for
spectra of asymmetric top molecules were based on data gathered from the
MSU grating infrared spectrometer. However, with the availability of
higher resolution spectra from other laboratories, we have modified some

of our conclusions and methods of analysis.

This work was done in cooperation with the Upper Atmosphere

Iiesearch Group at the University of Denver. We provided the samples,
1

they ran the spectra on the Denver University Fourier Transform
Interferometer, which operates in regions inaccessible to our

spectrometer, and the analysis was carried out here at MSU.

In this dissertation the vibration-rotation infrared spectrum of

the vi fundamental band of H2

fundamental band of H

S in the 8.5 wn region and the v2

2Se in the 9.7 um region are analyzed. The H28

analysis includes the first reported v

species H2338 and H2348, and the H

reporting of H274

2 spectra for the molecular

2Se analysis includes the first

Se spectra anywhere.

Chapter I provides a brief overview of the general theory involved
in the development of a vibration-rotation Hamiltonian suitable for
analyzing asymmetric top molecules. Chapters II and III give the
details of our analysis of the v2 bands of H28 and HZSe, respectively.

A reprint of our 1982 paper on v2 of H25, tables of data for H28 and
H Se, and a new subroutine for our fitting programs are contained in the

2
Appendices.

CHAPTER I

VIBRATION‘ROTATION HAMILTONIANS FOR ASYMMETRIC TOP MOLECULES

Overview

This chapter traces the development of a Hamiltonian suitable for
calculating the vibration-rotation energies Of asymmetric t0p molecules.
The analysis of spectroscOpic data is regularly performed with an
"effective Hamiltonian," i.e. one which effectively fits the spectral
lines but is not explicitly expressed in terms of fundamental molecular
parameters, such as the equilibrium values of the principal moments of
inertia and the force constants of the molecular potential energy. The
"effective constants" associated with such a Hamiltonian may be used
successfully to predict the positions and intensities of the spectral
lines of the specific vibration-rotation band from which they were
determined, but are not directly related to the structure of the
molecule. Furthermore, the specific values of the constants depend on
which of several available effective Hamiltonians is used and on how a
Cartesian coordinate system is chosen to be aligned with the
"body-fixed" rotational axes of the molecule. It is nevertheless
possible to transform these effective constants in a way which allows
spectroscopists to compare the results of different fits of the spectrum
using different Hamiltonians. The transformed constants are called the

"determinable coefficients" of the molecule.

The General Form of the Hamiltonian

 

Darling and Dennison (a) constructed the first general Hermitian
expression for the vibration-rotation Hamiltonian. This Hamiltonian is
given by

_ PB) u1/4

+ v , (H)

where a and 8 may be x, y or z, and the summation over k is a summation
over the normal modes of the molecule. V is the vibrational potential
energy which may be expanded as a Taylor series in the normal coordinate
displacements from equilibrium. The operators Pa are the components of
the angular momentum along body-fixed axes. These operators obey the
commutation relations

[Pa,PB] = -1 sum PY , (1-2)
where EGBY is the Levi-Civita tensor. The operators pk are the
components of the linear momenta conjugate to the normal coordinate
displacements, given by

= -ih— . (1-3)

The operators pa are the components of the "internal angular momentum."
A familiar example of internal angular momentum is the linear
combination of the two components of the degenerate bending mode of
vibration of C02. In general, the components of the internal angular
momentum are defined as

pa = Ell}; qk pk. , (1-4)
where the constants Gig, are the "Coriolis coupling coefficients." For

H25 and HZSe, only the asymmetric-stretch vibrational mode, v3, has any

internal angular momentum associated with it. The parameters “a

are

8

the cofactors of the determinant u of the inertia tensor. The inertia
tensor is composed of the instantaneous moments and products of inertia,
which are functions of the normal coordinates:

0.0.

an
I = I + Xak qk + EE'Akk’qk qk,

an ad k
and (I-S)

8 as
I = Zaa q + 22 A ,q q . ,
a8 k k k kk’ kk k k

where 1:“ are the equilibrium moments of inertia. Because the moments
of inertia are functions of the normal coordinates, they will have

different values for each vibrational state.

The Perturbation Expansion

Unfortunately, Schroedinger’s equation cannot be solved exactly for
the Darling-Dennison Hamiltonian, so a general perturbation approach
must be used. The Darling-Dennison Hamiltonian may be expanded in a
standard perturbation expression:

2

H=H0+AH1+AH2+..., (1-6)

where the zeroth order term, H0, corresponds to the Hamiltonian for a

"rigid" harmonic oscillator:

l 1 ‘ 1/2' 2 2

Hoa—Z—EI—+§ hkk [[Pk/h) +qk] ) (I 7)
where Ia are the equilibrium moments of inertia (Tia above) and Afi/Z are
the frequencies of the normal modes of vibration. This approach was
taken by Wilson and Howard (2), who showed that the Hamiltonian can be

made diagonal with respect to the vibrational quantum numbers to any

 

order A by a sufficient number of "contact transformations." The result
is a Hamiltonian of the form
H= fiv+%220aspp a P8 +4lEXXETaBY6PaPBPyP5+ . . . , (I-8)
a8 a8‘15

where hv is a collection of purely vibrational terms whose expectation
values for a given vibrational state are constant, in the absence of any
perturbing resonances. Only even powers of angular momentum operators
appear in this expansion. Watson (4) has shown that this is a
consequence of the requirement that the Hamiltonian be Hermitian and
invariant under time reversal. The vibrational contact transformation
introduces a dependence on the vibrational state into the coefficients
of the angular momentum terms in Eq.(I-8), so these coefficients are now
referred to as "effective" constants, i.e. they are constants only for a
given vibrational state. The Pa terms of quartic and higher order are
called the "centrifugal distortion" terms of the Hamiltonian. These
terms are the result of changes in the average geometry of the molecule

as its angular momentum increases and as the molecule vibrates.

The Vibrational Contact Transformation

 

18
Two successive contact transformations of the form e are

necessary to diagonalize the vibrational matrix elements of the
Darling—Dennison Hamiltonian through order A", which includes angular
momentum terms through sixth power in Eq.(I-8). These transformations
have been carried out in excruciating detail in a series of papers by
Goldsmith, Amat and Nielsen (2,6) and Amat and Nielsen (1,§,9). Using
this as a groundwork, Chung and Parker (19,11,12) carried out an

extensive theoretical derivation of the rotational and centrifugal

 

distortion constants in an effort to express them as functions of more
fundamental parameters, such as the equilibrium moments of inertia and
the equilibrium bond angle. They also made effective use of symmetry

considerations to reduce the number of centrifugal distortion terms in

Eq.(I-8).

Reduction of the Rotational Hamiltonian

 

There are six terms quadratic in Pa in Eq.(I-8), but by using the
principal axes of inertia, only three constants need be determined.
Since each index in Eq.(I-8) has three possible labels, and owing to the
noncommutative nature of the angular momentum operators, in general
there are 81 quartic terms and 729 sextic terms. Chung and Parker (11)
showed that for orthorhombic molecules, a class which includes the

symmetry group C to which both H S and H

2v 2 2Se belong, there are 15

independent quartic terms and 105 independent sextic terms.

Kneizys, Freedman and Clough (lg) used the commutation relations of
Eq.(I—Z) to manipulate the rotational Hamiltonian to the following
Cartesian form:

H = 11(2) + H“) + 11(6)

+. . . (1'9)
where
H(2)-XP2+YP2+ZP2,
y Z
H(")=T +T P4+T P +T (P2P2+P2P2)
xx x yy y 22 2 xy x y
+T (P2P2+P2P2)+T (P2P2+P2P2),
xz x z z x yz y z z
(6)_ 6 6 6
H — ¢xxx x qJyyy y ¢zzsz
+¢ [P4P2+P2P")+¢ (P4P2+P P")
xxy x y x yyx y x y

 

' :== ‘ ' was 4,

8
4 2 2 4 4 2 2 4
+ ¢XXZ(PX PZ + PZ PX ) + q>ZZX[PZ PX + PX PZ J
4 2 4 4 2 2 4
+ ¢yyz(Py Pz + P P ) + ¢zzy[Pz Py + Py Pz J
+¢ (P2P2P2+P2P2P2)
x y z z y x

The notation used above for the coefficients of the Cartesian
Hamiltonian differs slightly from that used by Kneizys et al. in that in
this version the Cartesian nature of the coefficients is explicitly
shown. Thus there are 3 quadratic terms, 6 quartic terms and 10 sextic
terms. Similarly, Rao (14) has shown that there are 15 octic terms in
the Cartesian Hamiltonian. The use of the commutation relations to
manipulate the angular momentum operators results in higher order
centrifugal distortion constants contributing to lower order terms in
the rotational Hamiltonian. Kneizys et al. also expressed this

Hamiltonian in terms of the spherical operators P", P: and (P: - Pf)

instead of Pi, P: and P: to take advantage of the diagonal nature of P2

and P: in the symmetric top basis.

The Rotational Contact Transformation

 

Even with this tremendous decrease in the number of centrifugal
distortion terms, it is not possible to determine experimentally all the
centrifugal distortion constants for any given order by fitting observed
spectra. Watson (4) has suggested that this is because the eigenvalues
of the rotational Hamiltonian depend on certain linear combinations of
the Hamiltonian constants and that only these linear combinations may be
experimentally determined. He proposed that the rotational Hamiltonian
be subjected to a set of successive unitary transformations of the form

exp[iSn), where Sn is a Hermitian matrix given by

 

P
PX) , (I-13>

where n, p, q and r are integers, and n= p+~q+—r. By applying
appropriate symmetry restrictions, Watson found that only odd values of
n, p, q and r are possible. The transformed Hamiltonian, denoted by H,
is related to the untransformed Hamiltonian, H, by

H = . . e_isse_is3e_islHelsleisaeiSS (I-14)

The coefficients qur may be chosen to eliminate specific terms in the

transformed or "reduced" Hamiltonian. The matrix Sl transforms the

body-fixed rotational axes to the principal axes of inertia.

Furthermore, there is only one non-zero coefficient for S3 (5 three

111)’

for S5 (5 s and s ) and six for S7 (3

113' 131 311 115' 5151’ 5511’ 5133’

S331 and $313). Carrying out the transformation to lowest order will

allow the elimination of one quartic term in the transformed Hamiltonian

by a judicious choice of the s parameter. Similarly, by transforming

111

the Hamiltonian to successively higher orders, the three S parameters

5
allow the elimination of three of the sextic terms and the six S7
parameters reduce the octic terms from 15 to 9. Unfortunately, the

reduction is not unique because the transformation parameters are

arbitrary.

Choice of Reductions

 

Several different reductions of the rotational Hamiltonian have
been used to fit experimental data. Using a spherical form of the
rotational Hamiltonian similar to the one constructed by Kneizys et al.,
Watson chose a reduction that contained terms that had only diagonal and

second off-diagonal matrix elements in the symmetric top basis set.

a...‘.‘

10

This reduction is called the Watson "A-reduced" Hamiltonian. A

particular formulation of this Hamiltonian by Yallabandi and Parker (15)

is given by
H(A) = H(2) + H(") + H(6) + H(8) + . , (I-lS)
where
Ha) = )(’P2 + it’P2 + Z’P2 ,
x y z
(4) = _ 4 _ 2 2 _ 4 _ 2 2
H AJP AJKP Pz AKPZ 26JP ny
2 2 2 2
6K[Pz ny + ny z] ,
(6)= 6 4 2 2 4 6 4 2
H HJP +HJKP Pz +HKJP Pz +1"sz +2hJP ny
2 2. 2 2 2 4. 2 2 4
+ hJKP [Pz ny + nyPz ] + hK[Pz ny + nyPz] ’
(8) _ 8 6 2 4 4 2 6 8
H LJP +LJJKP Pz +LJKP PZ +LKKJP Pz +LKPz
6 2 4 2. 2 2 2
+ 22JP PK 4- 2“? [P2 ny + nyPz]
2 4. 2 2 4 6 2 2 6
+ 2MP [Pz ny + nyPz ] + £K[P ny nyPz ],
and
P 2 a (P2 —-E’2)
KY X Y

The designation "A-reduced" refers to the fact that it was specifically
designed for asymmetric top molecules far from either the oblate or

prolate symmetry limits.

Watson proposed another reduction that would be useful for
molecules near the oblate or prolate symmetry limits, the "S-reduced"
Hamiltonian. Typke (16) introduced a related form of this reduction in
response to the problems experienced by Carpenter (12) when he attempted
to use the A-reduced Hamiltonian to calculate energy levels for several

oblate molecules. This Hamiltonian has the form

H = Ha) + 11(4) + H(6) + H(8) + . . . (I-l6)

where

11(2) = B’PZ + 131’2 + B’Pz,
x x y y z z

(4)=_,4_, 22_,
H D P DJKP Pz D

J K
a“) = H3?6 + "3184?: + HPJPZPZ" + “12926 + “gifts? - Pf)
+%H8P20 +Hi0(Px2 - Pyzl3.
and
0 = P"+P;‘-3(Px2Py2+Py2Px2). (I-17)

Typke did not carry out the transformation to order S7, so the actual
form of the octic terms for this reduction is not known. If we assume
that they would be appropriate octic combinations of the operators
present in the lower order terms and if we use Watson’s S-reduced
Hamiltonian as a guide, a possible expression for the Typke Hamiltonian

octic terms is

(8)_,8,62,44,26,8 _
H - LJP +LJJKP Pz +LJKP Pz +1.],ij Pz +1erz (I 18)
2J3

6 2 2 4 2 2 2
+£P(Px—Py]+27PO+28P[PX Py +190.

6
Watson’s A-reduced Hamiltonian has generally been the most widely

used reduction, although, as previously stated, for certain cases it

does not work well in fitting observed spectra.

Choice of Rotational Representations

There are six possible ways of associating the body-fixed
rotational axes a, b, and c of the molecule with a set of Cartesian

axes. These associations are called the "rotational representations"

12

(see Table 1)-

Table 1. Rotational Representations

 

 

 

Body-Fixed Axes Cartesian Axes
z x y z x
x z y
c y y x z 2
Representation Ir I" IIr 11% IIIr III"

 

Historically, "oblate" asymmetric tops such as H23 and HZSe have been
analyzed with a rotational Hamiltonian in the IIIr representation and
"prolate" asymmetric tops have been analyzed with a Hamiltonian in the
Ir rotational representation. These choices have a certain theoretical
justification and tend to reduce the size of the off-diagonal matrix
elements of the rotational Hamiltonian, an important consideration for
the numerical diagonalization of the Hamiltonian before the availability
of large, high-Speed, digital computers. These choices for rotational
representation cause no difficulty with Typke’s Hamiltonian. However,
it was soon observed that the spectra of asymmetric top molecules even
moderately close to the oblate symmetric-top limit were hard to fit
using Watson’s A-reduced Hamiltonian in the IIIr rotational

representation. Van Eijck (18) explained this as a result of the large

 

size of the 3111 parameter in the A-reduction for the IIIr
representation. For this reduction, the $111 parameter is
[I + T - zrr )
s = 1 xx W XV (1-19)
111 4 (X - Y) '

In the IIIr representation, X==A, Y==B and Z==C, where A, B and C are

 

the coefficients of the quadratic terms in the rotational Hamiltonian,
and are inversely proportional to the moments of inertia about the
rotational axes a, b and c. As a molecule approaches the oblate
symmetry limit, A and B become closer in value and the magnitude of 5111
increases dramatically. This parameter is one factor which determines
how much of the lower order terms of the rotational Hamiltonian is
transformed into the higher order terms by the rotational contact
transformation. For example, the quartic constants of the transformed
Cartesian Hamiltonian, denoted by tildes, are related to the constants
of the untransformed Hamiltonian, by the following set of equations

derived by Watson (12):

Txx = Txx , Tyy = ryy , Tzz = Tzz , (1—20)
Txy = rxy + 2(Y - x)s111 ,
xz = sz + 2(X - Z)slll ’

~

yz = Tyz + 2(z - ins111 .

Thus for the last two transformed quartic terms to have the same order
of magnitude effect as the untransformed quartic terms for the same

angular momentum state, should be approximately the ratio of a

S111
typical quartic constant to a typical quadratic constant. A similar
argument is applicable to the sextic and octic coefficients. In
general, the s—parameters should obey the order of magnitude relation

derived by Watson (4), given by

3 ~ K2(p+-q+-r-1)’ (I-21)
qu

where K is a small parameter on the order of the ratio of the nuclear

displacements from equilibrium in a molecule for a low vibrational state

14

to the equilibrium bond length. Strow (29) has calculated the value of
the 3111 parameter for two reductions and two representations in his

analysis of the ground vibrational state and the v upper state of H S.

2 2

He discovered that the value of 3111 for the A-reduction in the IIIr

representation is 12 times larger in the ground state and 25 times
larger in the (010) upper state than for the Arreduction in the Ir
representation, or the S-reduction in either representation. Since HZSe

is closer to the oblate symmetric-top limit than H S, the effect should

2

be even more pronounced for HZSe. Thus if the Arreduced Hamiltonian is
used to calculate rotational energies for an oblate molecule such as H28
or HZSe, the rotational representations IIIr or III" should not be used.
Since our fitting programs are designed to use only Ir and IIIr

r
representations, we now use the I rotational representation with the

A-reduced Hamiltonian.

Watson’s Determinable Coefficients

 

Watson (18) pointed out that because the s-parameters in the
rotational contact transformation are arbitrarily chosen, the
eigenvalues of the Hamiltonian cannot depend on them. Thus he
constructed a set of linear combinations of the reduced Hamiltonian
coefficients that does not contain any of the s-parameters. Such a set
of "determinable coefficients" should be independent of the reduction
and of the rotational representation used. Using the Cartesian
Hamiltonian, the transformed rotational constants are related to the

untransformed rotational constants by

Y = X + 4(Z - Y) (I-22)

S111 ’

15

#4
II

Y + 4(X - Z)s111 ,

N
ll

Z + 4(Y - X)s111 ,

where contributions of the order of quartic centrifugal distortion
constants have been included in the transformed rotational constants.
Thus using Eq.(I-ZO), determinable rotational coefficients A, B and C
may be defined as

A = X - 27F

yz=X-2Tyz (1-23)
B=Y-2T =Y-2T

X2 X2
C=Z-2T =Z-2T

xy xy

r
where the III rotational representation has been assumed. Watson noted

and all higher order centrifugal

that Txx’ T , ¢ , ¢

yy’ Tzz yyy’ ¢zzz’

distortion constants that are ”diagonal" in the Cartesian subscripts are
independent of the contact transformation if certain small contributions
to the transformed constants are ignored, and are thus determinable.

Additionally, he chose as the remaining quartic terms

T1 = Txy + TXZ +-Tyz , (1-24)

T=ZT +YT +XT ,
2 xy xz yz

and as the remaining sextic terms

(,1 = 3 226%,, + ¢xyz , (1-25)
08

¢2 = (X - Z)q)xxy + (X - Y)(i)xxz - 2(Txx - Txy)(Txx - sz) ’

¢3 = (Y - xmyyz + (Y - zwyyx - 2(Tyy - TszTyy - Tyx) ,

¢4 = (Z - YM’zzx + (Z - X)(pzzy - 2[Tzz - sz)(Tzz - sz)

Rao (14) has constructed a set of octic determinable coefficients but we

16

have not yet incorporated them into our fitting programs.

To calculate the determinable coefficients, a subroutine in our
fitting programs first determines the Cartesian coefficients from the
constants of the reduced Hamiltonian used to fit the observed spectra,
using the relations tabulated by Murphy (21) (see Appendix F). If the
"wrong" rotational representation was used (e.g. II. for an "oblate"
molecule), the Cartesian coefficients are suitably relabeled to account
for the permutation of the rotational axes. The determinable
coefficients are then calculated with the aid of Eqs.(I-23), (I-24) and
(I-25). Trial calculations using the ground state and (010) upper state
of H28 and HZSe (with the rotational Hamiltonians truncated to sextic
terms because Typke’s Hamiltonian did not contain octic terms), have
shown that our quadratic and quartic determinable coefficients were
essentially invariant to reduction and representation, but the sextic
coefficients were not. This may be because without octic terms present
in the Hamiltonian, the sextic terms are trying to fit transitions
between higher angular momentum states than they are intended to fit,
and are thus poorly determined. Another possible explanation is that
the small contributions to the transformed centrifugal distortion
constants that Watson ignored in his formulation of the determinable

coefficients are not negligible.

CHAPTER II

ANALYSIS OF v2 OF H23

Introduction

 

When we first began to analyze the v fundamental band of H28, we

2

were confronted with two major difficulties:

(1) We found that fits of our spectral data did not converge to a stable

(2)

set of Hamiltonian constants using Watson’s Arreduced Hamiltonian in
the IIIr rotational representation. At that time, we had tried
Watson’s Arreduced Hamiltonian only in the IIIr representation.

Thus we initially chose to use Typke’s Hamiltonian, for which only
terms through order P6 are available. This restriction limited our
ability to accurately fit and predict transitions with high values
of J and Ka.

Because we did not have enough ground state transitions (infrared

and microwave) for the molecular species H2338 and H2348, we could

not determine separate ground state rotational constants and
centrifugal distortion constants for these isotOpic species, or

"isotOpomers." Therefore, at that stage we initially limited our

analysis of the H2333 and H2343 ground states to a simultaneous fit

of infrared ground state combination differences (GSCD’s) and
microwave transitions for all three isotOpomers, using linear

isotOpic mass adjustment constants for A, B, and C. Similarly our

initial analysis of the (010) upper states of H2338 and H2345

consisted of a simultaneous fit of v2 lines for all three

isotopomers using isotopic mass adjustment constants for v0, A, B,
17

l8

and C.

We published our analysis of the v2 band of H28 with the
limitations listed above (22). Appendix A contains a reprint of this
paper, which is an essential part of our analysis of v2 of H25.
Interested parties should read this paper as carefully as the remaining

material in this chapter.

Recently Flaud, Camy-Peyret, and Johns more precisely determined
the ground state constants of each of the three isotopomers from their
analysis of the far-infrared and microwave pure rotational spectra of
H28 (23). Using their ground state constants through P8 terms, we have

reanalyzed our v data and obtained the first individual (010) upper

2
state constants (also through P8 terms) for H2338 and H2345. Since our
1982 publication, we have followed the examples of Carpenter (11) and
Strow (12) and have used the Ir rotational representation of Watson’s
A-Reduced Hamiltonian, as did Flaud et al. This modification of our
analysis allowed us to use P8 terms in the calculation of rotational

energy levels, which particularly improved the fit of the high J, high

Ka lines in our data set.

Results

For comparison with the results of Flaud et al., we determined a

set of Watson A-reduced ground state constants for H2328 by fitting our

H2328 GSCD’s combined with the microwave transitions of Helminger, Cook

and DeLucia (24). Both sets of constants are listed in Table 2, and the

standard deviations of our fit of the infrared and microwave data are

shown in Table 3.

19

 

 

 

Table 2. Comparison of H2323 Ground State Constants
GSCD Fit Flaud et alb
Constant (cm—1) (95IZSCIa) Constant (cm-l) (Errorc)
A 10.3601655 0.000021 10.36015940‘ 0.0000021
B 9.0181419 0.000021 9.01813582 0.0000020
C 4.7307891 0.000010 4.73078321 0.0000010
AJ ( x103) 0.652972 0.00086 0.6525985 0.000040
u _ _
"JR 2'28046 0.0020 2.280268 0.00010
H
"K 3.70358 0.0028 3.703266 0.00011
SJ " 0.295618 0.00035 0.2955171 0.000019
n _ _
5K 0.13274 0.0011 0.1326188 0.000053
HJ ( x106) 0.2791 0.019 0.270983 0.00043
ll _ _
HJK 1.5568 0.059 1.53293 0.0015
ll
HKJ 1.3149 0.098 1.25921 0.0044
HK " 1.351 0.12 1.38116 0.0040
ll
hJ 0.13853 0.0086 0.135413 0.00021
n _ _
hJK 0.4819 0.033 0.485095 0.00092
ll
hK 1.2026 0.060 1.22900 0.0029
9 .
LJ ( x10 ) -0.183 0.14 -0.l3951 0.0014
LJJK " 1.388 0.40 1.18438 0.0059
LJK " _2079 2.8 ‘303196 00038
LKKJ " 2'60 1.4 5.4801 0.088
n __ _
LK 2.20 1.5 . 4.4781 0.064
n _ ..
zJ 0.0919 0.067 0.070440 0.00072
I!
2JK 0'564 0.29 0.40513 0.0038
n _ _
zKJ 1.178 0.95 0.3024 0.020
"K " (Constrained to 0) —1.7579 0.041
a95%simultaneous confidence intervals, here about 6 times the standard

error of each constant.

bOnly terms through order P8 are listed for comparison.

c . .
Quoted errors are "one standard deViation."

20

 

 

Table 3. Ground State Fit of H2323
Ground State Standard Number Average
Data. Deviation of Data Weight
Infrared GSCD’s 0 .0019 cm"1 414 3 . 194
Microwave Data 0 . 10 MHz 39 100 000

 

'The agreement between our constants and the constants of Flaud et al. is
very good for A, B, and C and for the quartic centrifugal distortion
constants, but is only fair for the sextic and octic centrifugal
distortion constants. This is probably because our ground state data
had a maximum J value of 15 and a maximum Ka value of 8, and we used
only up through octic terms in the Hamiltonian, whereas Flaud et al.
analyzed pure rotational lines with J as high as 22 and Ka as high as
15, and in addition they included several 10th power terms in the
Hamiltonian. The limited range of J and Ka values and the precision of
our data does not warrant the inclusion of P10 terms. This assumption
is supported by the fact that their ground state constants through P8
terms predict our observed GSCD’s with a standard deviation of
0.0019cmr", which is the limit of the precision of our data. For

consistency among the three isot0pomers and also for greater accuracy,

we have used their ground state constants (through P8 terms) for our new

32

2 S, as well as for the other two

fit of the (010) upper state of H

isotopomers.

Keeping the ground state constants fixed to the values determined
by Flaud et al., we determined a set of (010) upper state constants for

each isotopomer by individually fitting the three sets of v2 lines.

21

With the improved ground state and (010) state energies available from

the new sets of constants, we discarded two of our previous line

assignments for H2338 and seven for H2348. We were also able to assign

one additional H2348 line. Our set of v2 line assignments for H2338 and

H 343 has a smaller range of J and Ka values than the H2323 v2 lines,

2
33 34
owing to the low intensities of the lines of H2 S and H2

abundances 4.2 7. and 0.7 7; respectively), hence we could not determine as

many centrifugal distortion constants for v2 of H2333 and H2348 as‘we
32

S. Following a procedure similar to the one

8 (relative

determined for v2 of H2

used by Flaud et al., we fixed the upper state HKJ and the octic

constants for H2333 and H2348 to the corresponding values for H2328.
Furthermore, for the analysis of v2 of H2333 we fixed the upper state 6
and all sextic constants except HKJ to the weighted average of the

2328 and H2345. The standard deviations of

our (010) upper state fits, reported in Table 4, are from 607.1 to 34%

corresponding constants for H

smaller than the standard deviation of the fits of each isotopomer in

our previous simultaneous analysis.

Table 4. Individual Upper State Fits of v2 of H28 Isot0pomers

 

 

Standard Number Average Number of

Isotopomer Deviation (cmfl) of Lines Weight Parameters
32 0.0010 386 2.802 25
33 0.0012 15 0.923 8
34 0.0016 69 1.241 15

 

22

 

 

Table 5. Upper State Constants for v2 of H28 Isot0pomers
Constant (cm-1) H 323 H233S H2348
v0 1182.57420 i 0.0015 1182.0161 i 0.018 1181.49820 i 0.0068
A 10.7220O6 t 0.00024 10.70371 t 0.0014 10.685631 i 0.00096
B 9.224432 t 0.00027 9.22262 i 0.0035 9.22388 t 0.0013
C 4.6688S6 i 0.00013 "'66564 i 0.0016 4.661636 t 0.00062
AJ (x103) 0.75644 3: 0.0050 0.7468 x 0.034 0.76454 t 0.0018
AJK " -2.7401 i 0.018 -2.730 t 0.10 -2.7317 1 0.0097
AK " 4.5580 i 0.014 4.574 t 0.11 4.5788 i 0.0099
GJ " 0.34754 t 0.0028 0.3376 i 0.020 0.3497 i 0.017
5K " -0.01870 i 0.0054 -0.0194 -O.0332 i 0.024
H] (x 106) 0.3877 .4: 0.066 0.4115 0.4124 2 0.013
HJK " -1.936 t 0.23 -1.94 -2.01 i 1.1
HKJ " 0.993 t 0.11
HK " 2.612 t 0.20 2.623 2.822 r 0.84
hJ " 0.1934 t 0.034 0.194 0.199 t 0.17
hJK " -0.616O t 0.064 -0.620 -0.658 t 0.20
hK " 2.129 t 0.12 2.124 2.065 i 0.41
LJ ( x109) -O.291 i 0.27
LJJK " 1.927 t 0.93
LJK " *5.979 t 3.0
LKKJ " 11.56 i 3.3
LK " -9.038 t 0.88
"J " -O.146 i 0.14
£JK " 0.523 f 0.26
"KJ " -0.852 t 0.73
"K " “3.526 i 0.94

 

23

Our (010) upper state constants for the_three isotOpomers are listed in

Table 5. A blank entry means that we fixed the constant to the

corresponding value for H2328. Those H2338 constants without a listed

uncertainty were fixed to the weighted average of the corresponding

constants for H2328 and H2348. Quoted errors are 95% simultaneous

confidence intervals, approximately 6 standard errors of each constant

for H2323 and approximately 5 standard errors of each constant for H2338

and H2348. Our (010) constants are in good agreement with those of

Strow (12) for H2328. However, we determined values for the upper state

octic constants, and the standard errors of our lower order terms are
somewhat smaller than his.

We have calculated Watson’s determinable coefficients (4) for
H2328, from the ground state constants of Flaud et a1. and from our

(010) upper state constants. These determinable coefficients are listed

in Table 6. A complete set of our final line assignments for all v

2
lines of H25 are contained in Appendix B, and Appendix C contains our
weighted averaged GSCD’s for H 328, combined from the infrared bands

2
(010), (020), (100), (001), (110), (011), (210), and (111).

32

Table 6. Determinable Coefficients of H S

2

 

 

Constant* Ground State* (010) Upper State
10.3614646 10.723519
Y 9.0168316 9°222548
4.7301339 4.668286
rxx (x103) —2.o7560 4.5744
Tyy " -1.24363 ' -1.4516
Tzz " -0.061564 -0.06146
T1 " 0.32247 0.47048
T2 " 0.64046 1.9101
9 ( XIO6) 1.3 2.0
78 57
¢yyy " 0.5418 0.7744
"zzz " 0.000157 0.000943
01 " -3.422 —4.755
62 --12.78 -18.82
03 -5.043 -6.381
64 " -O.0596 -0.2370

 

*All constants have units of cmfl, except for T2, 62, 03, and 64,

which have units of cmf .

2

*
These determinable coefficients are calculated from the ground

state constants of Flaud et al.

The number of significant digits reported for these constants is

an estimate on our part.

CHAPTER III

ANALYSIS OF 92 OF H28e

Introduction

 

The v2 fundamental band of H28e was first studied at low resolution

by Cameron, Sears, and Nielsen (25) in 1939, and at moderate resolution
by Palik (26) in 1959. Helminger and DeImcia (21) investigated the

microwave spectrum of H Se and assigned 109 ground state transitions for

2

the five most abundant H28e isotopomers. Using these transitions and

the available infrared ground state combination differences formed by

Hill and Edwards (28), who made a preliminary analysis of the 2v2, v1

and v3 bands of H2Se, Helminger and De Lucia calculated ground state

constants for the five most abundant isotopomers.

In 1981, Gillis and Edwards (22) finished the analysis of these
three bands at a resolution limit of‘0.04cmm1 with a standard deviation
of 0.0084011-1 for the simultaneous fit of the Coriolis interacting bands
01 and v3, and 0.0038 cm"1 for the fit of 2v2. In this work the 92 band

has been run at a resolution limit of 0.025cmr1, and we have assigned

about 1600 spectral lines, including some for H27"Se. As a result we

have revised the existing ground state constants and obtained (010)

upper state constants through octic terms in angular momentum operators.

Experimental Details

 

Our sample of H Se was purchased from the Matheson Company, Inc.

2

The sample was used without further purification, and no impurities were

observed in the spectrum.
25

26

Several runs of the spectrum of v2 of HZSe were recorded using the
University of Denver.53cm FTIR spectrometer system, as described in our
paper on v2 of H28 (see Appendix A). The experimental conditions for
each run are summarized in Table 7. All spectra were recorded at room
temperature (~220C). Several scans for each run were recorded and
co-added to improve the signal-to-noise ratio. Calibration was
2160 line positions reported by

Olson, Maki, and Lafferty (39). Although the instrument resolution is

performed using the (10°0-0000) 14N

nominally 0.020cmrl, the actual observed full widths at half height of
weak to moderate intensity well-resolved lines are pressure-broadened to
values ranging from 0.025 cm"1 to 0.060 cm-l, depending on the sample
pressure. Unfortunately, only short sample cells were available, making

relatively high sample pressure necessary for adequate absorption.

Table 7. Experimental Conditions for v of H Se

 

 

2 2
Run number 1 2 3 4
Region (cm—1) 905 - 1320 885 - 1300 890 - 1310 1147 - 1347
Sample pressure (torr) 29.5 105 175 51
Path length (cm) 22 22 22 45
Linewidth (cm-1) 0.045 0.045 0.060 0.025
Number of scans co-added 6 7 8 6
Calibration method N 0a b b b

2

 

aThe Spectrum of 29 torr of N O in a 5 cm cell was recorded simultaneously
with the HZSe spectrum. See ref.(39) for the N20 line positions.
bCalibrated against well-resolved HZSe lines from run 1.

27

Analysis of Individual Isot0pomers

 

The basic procedure that we used to analyze the V2 band of H28 (22)

was also used to analyze v2 of H25e (see Appendix A). However, the

natural abundances of the selenium isotopes, as listed at the bottom of

Table 8, are such that the isotopomers of H Se produce five overlapping

2
resulting in many blended lines. Our

spectra of "comparable intensity,‘
approach to this problem was first to assign as many lines as possible
for the most abundant isotopomer, H28OSe. Using the intensity signature
characteristic of HZSe isotopic multiplets, we easily assigned many
lines of the other isotopomers. After assigning and fitting a
sufficient number of lines for each of five isotopomers, we predicted a

spectrum of the most intense type B transitions for each isotopomer, and

the analysis of each spectrum proceeded iteratively as usual.

Table 8. Range of Rotational Quantum Numbers for H Se Data Sets

 

 

 

 

 

2
, 74 76 77 78 80 82
GSCD 3 H2 Se H2 Se H2 Se H2 Se H2 Se H2 Se
7 14 14 17 18 12
max
K 2 7 8 9 12 7
a,max:
7 14 14 17 18 12
c,max
74 76 77 78 80 82
v2 lines H2 Se H2 Se H2 Se H2 Se H2 Se H2 Se
J 15 17 17 18 19 16
max
K 11 13 13 14 14 13
a,max
K 17 15 15 17 19 15
c,max
# lines AKa==3 1 16 11 32 40 13
# lines AKC=3 0 0 0 0 3 0
Natural ,
Abundances (A) l 9 8 2" 50 9

 

Table 9. H

76
2

28

Se Molecular Constants

Watson’s A-Reduced Hamiltonian, Ir Representation

 

Ground State

 

- *
Constant (cm 1) (95 Z SCI )

(010) State

 

_ *
Constant (cm 1) (95 Z SCI )

 

0.000031
0.000033
0.000018

0.0022
0.0055
0.0042
0.0012
0.0022

0.025
0.12
0.13
0.072
0.012
0.084
0.14

1.4
1.5
1.6
0.71

1.1

V0 -
A 8.1804309
'3 7.7268850
0 3.9040002
A ( x103) 0.527
J 24
JK " -1.84868
AK " 2.64091
6] " 0.24293
6K " -0.18296
H ( XI06) 0.21
J 48
HJK " -1.376
HKJ " 1‘622
HK " 0.2456
hJ " 0.1117
hJK " --o.4056
hK . 0'781
L ( x109) -o.11 *
J 40
LJJK . 1'64
LJK . '4'40
LKKJ . 4'71
LK " “2'367
i] " -0.0598*
2“ " 0468*
sz . 70°95
"K " (Constrained to 0)

1034.514
8.429920
7.9071

79

3.857970

0.61677
3.18

60
0'28684

0.3367
1.537
0.8

62
0.1677

1.2105

-0.2718
1.898

-4.16

r
4.460
--2.65

- *
0.132

r
0.501

_ *
0.759

_ ¢
0.852

40

0.0046

0.00072
0.00068
0.00028

0.0077
0.032
0.029
0.0042
0.0056

0.049
0.26
0.63
0.29
0.025
0.067
0.070

0.084
0.66
1.2

1.4

 

*
957. simultaneous confidence intervals, here about 6 times the standard

error of each constant.

80

*These constants were fixed to the corresponding values for H2 Se.

Table 10. H

77
2

29

Se Molecular Constants

Watson’s Ar-Reduced Hamiltonian, Ir Representation

 

Ground State

 

- *
Constant (cm 1) (95 7. SCI )

(010) State

 

- *
Constant (cm 1) (95 7'. SCI )

 

CC

AJK
AK
§J
aK
HJ (x10)
HJK
HKJ
“x

8.1776923
7.72689

22
3.9033745

0.52836

2.63778

0.243081

-0.183401

0.2251

-1.3508

1.6745

0.1485

0.1156

-O.49

89
0.935

-0.11 t

40
0.861
-301

63
4.362

_ #
0.0598

0.4 *

68

0.000021
0.000024
0.000019

0.0023
0.0056
0.0016
0.00047
0.00062

0.025
0.063
0.053
0.077
0.010
0.050
0.12

0.51
0.32
0.60
0.67

’0.87

(Constrained to 0)

1034.42550
8.427091
7.9069

88
3.857199

0.61163

-2.l805

3.1590
0.28498
-0.1217
0.2892
-1.421
1.341
0.732
0.1424

-O.438
102

49

-0.2 i

55
2.392
-9.

71
14.7
-7.65
-0.1019

i
0.501
-l.63

_ $
0.852

0.0071

0.00082
0.00088
0.00039

0.0093
0.038
0.035
0.0059
0.014

0.056
0.34
0.68
0.40
0.044
0.13
0.25

0.96
5.6

11

6.1
0.074

1.8

 

9SiZsimultaneous confidence intervals, here about 7 times the standard

error of each constant.

80

*These constants were fixed to the corresponding values for H Se.

2

Table 11. H

78
2

30

Se Molecular Constants

Watson’s A-Reduced Hamiltonian, IR Representation

 

Ground State

 

- *
Constant (cm 1) (95 7. SCI )

(010) State

 

- *
Constant (cm 1) (95 Z SCI )

 

CC

0313:.

AJ ( x

103)

8.1750087

7.7268788

3.9027655

0.52820
-1.84943

2.63827
0.2424

00
-0.18271

0.2102

1.1

68
0.518

0.10399

0.762

-0.12

17
1.308
"4‘37
6.82
”"’14

_ #
0.0598

0.4 *

68

0.000029
0.000028
0.000020

0.0020
0.0055
0.0044
0.00080
0.0026

0.021
0.051
0.22
0.24
0.0093
0.055
0.12

0.045
0.70
1.4
1.3
1.5

0.68

(Constrained to 0)

1034.335
8.424285

7.906952

3.856678

90

0.61439
-2.2089

3.1855

0.28576
-0.12969

0.3190

-1.701
1.413
0.965
0.161

2
-0.5592
1.2

63

-3.99
-0.1334
0.572

- #
0.759

0.0023

0.00037
0.00030
0.00016

0.0037
0.016
0.016
0.0020
0.0053

0.023
0.12
0.23
0.23
0.013
0.052
0.10

0.71
2.0
1.6
0.015
0.13

0.68

 

*
951% simultaneous confidence intervals, here about 7 times the standard

error of each constant.

80

*These constants were fixed to the corresponding values for H2 Se.

Table 12. H

31

80
2

Se Molecular Constants

Watson’s A-Reduced Hamiltonian, Ir Representation

 

Ground State

 

- *
Constant (cm 1) (95 7S SCI )

(010) State

 

_ *
Constant (cm 1) (95 7. SCI )

 

0C

8.1698555

7.72686

72
3.9015791

0.52782

-l.84981
2.63712
0.2423

-0.1834

99
54

0.2114
-1.2826
1.3782
0°3848
0.1062
-0.40

74
0.7634

-0.11
1.2

'2'54
1'71

-0.732

-0.0598

0.468

40
49

0.000021
0.000023
0.000014

0.0013
0.0012
0.0028
0.00062
0.00078

0.018
0.021
0.063
0.027
0.010
0.040
0.057

0.097
0.67
1.7
1.2
0.25
0.051
0.39
0.45

(Constrained to 0)

1034.165
8.41901
7.9068
3.8554

20

9
87
72

0.61417

-2.2070
3.1814

0.28592

-0.12853

0.3188

1.471
00894

0.1613
-0.52

53
1.2295

-0.255

1.785

“3'76
4.46O

'2'87

--0.132

0.501

0.0019

0.00032
0.00034
0.00012

0.0056
0.022‘
0.017

0.0030
0.0049

0.061
0.26
0.14
0.11
0.032
0.052
0.064

0.20
0.77
2.6

0.66
1.3

0.10
0.13
0.29
0.44

 

*
951% simultaneous confidence intervals, here about 7 times the standard
error of each constant.

Table 13. H

82
2

32

Se Molecular Constants

Watson’s A-Reduced Hamiltonian, IR Representation"

 

Ground State

 

. - *
Constant (cm 1) (95 Z SCI )

(010) State

 

_ *
Constant (cm 1) (95 7. SCI )

 

0C

h'K ..

LK

“m

8.1649478
7.7268602

3.9004542

0°52846
-1.85651

2.64079
0.241667

-0.180891

0.2398
-1.6076
1.8307
0.1999
0.0911
-0.35

0.85

24
94

3.1

77
1.71

- $
0.732

_ #
0.0598

0.4 *

68
-2.568

0.000030
0.000033
0.000028

0.0040
0.0024
0.0017
0.00051
0.00097

0.057
0.059
0.062
0.044
0.011
0.048
0.064

0.22
0.45
0.66

0.84

(Constrained to 0)

1034.00520
8.413849
7.9069

20
3.854417

0.61989
-2.2301

3.1941
0.287

80
-0.12540

0.42
-2.1
1.8
0.9

31
98
14

17
0.195

-0.48
1.37

54
94

-0.785
4.

18
-5

'12 *
4.460

‘3°40

-0.3267

r
0.501
--2.31

- $
0.852

0.0046

0.00069
0.00056
0.00030

0.0062
0.028
0.032
0.0023
0.0067

0.050
0.36
0.62
0.53
0.12
0.082
0.081

0.25
1.3
2.2

2.2
0.093

1.3

 

*
95iZ simultaneous confidence intervals, here about 7 times the standard

error of each constant.

80

*These constants were fixed to the corresponding values for H Se.

2

33

Because the relative intensity of lines within an isotopic

multiplet depends on the natural abundance of the selenium isotopes, the

8
2

abundance). As a result, we were able to assign spectral lines and form

number and selection of spectral lines was greatest for H 0Se (~4fl)%
GSCD’s with the widest range of rotational quantum numbers for this
isotopomer. This was also the only isotopomer for which we observed any
of the weak AKC==3 lines. The range of quantum numbers exhibited by the
six sets of GSCD’s and v2 spectral lines and the natural abundances of
the six isotopomers were given in Table 8. The molecular constants and
the 9SZIsimu1taneous confidence intervals for the separate ground state

and upper state fits of the five most abundant isotopomers were listed

in Tables 9 through 13.

We obtained ground state constants for each isotOpomer by fitting

‘ infrared GSCD’s together with the microwave transitions observed by
Helminger and De Lucia (27). The results of the individual ground state
fits are summarized in Table 14, and the five sets of ground state

constants are listed in Table 15 for comparison.

Table 14. Individual Ground State Fits of H Se Isot0pomers

 

 

2
Std Dev of IR No. of Std Dev of No. of MW
Isot0pomer GSCD Fit (cmfl) GSCD’s Av Wt MW Fit (MHz) Transitions
76 0.0035 160 0.531 0.35 21
77 0.0037 143 0.228 0.31 21
78 0.0028 355 1.386 _ 0.080 21
80 0.0021 510 1.756 0.089 25
82 0.0035 153 0.548 0.098 21
Weighted
0.0025 1321 1.203 0.22 , 109

Average

 

Table 15. H

2

Se Ground State Constants for Individual Isot0pomers

Watson’s A-Reduced Hamiltonian, Ir Representation

 

 

Constantf H276Se H277Se H278Se H2808e H2828e
A 8.18043O 8.1776923 8.17500 8.16985 8.1649478
B 7.72688 7.7268922 7.72687 7.72686 7.7268602
0 3.904000 3.90337 3.90276 3.90157 3.9004542
A3 ( x103) 0.52724 0.52836 0.52820 0.52782 0.52846
AJK " -l.84868 -1.84602 -1.84943 -1.84981 -1.85651
AK " 2.64091 2.63778 2.63827 '2.63712 2.64079
oJ 0.24293 0.2430 0.242400 0.2423 0.241667
6K " -0.18296 -0.1834 -0.18271 -0.1834 -0.180891
HJ ( x106) 0.2148 0.2251 0.2102 0.2114 0.2398
HJK " -1.376 -1.3508 -1.2028 —1.2826 -1.6076
HKJ 1.622 1.6745 1.168 1.3782 1.8307
HK " 0.2456 0.1485 0.518 0.3848 0.1999

hJ " 0.1117 0.1156 0.10399 0.1062 0.0911
hJK " -o.40S6 -0.4989 -0.3880 -o.4074 --0.3524

hK " 0.781 0.935 0.762 0.7634 0.8594

LJ ( x109) -0.1217 -0.1140 -0.380
LJJK " 1.64 0.861 1.308 1.249 3.177

LJK " -4.40 --3.163 -4.37 -2.54 -4.204
LKKJ 4'71 4'362 6'82 1'71

LK -2.367 -2.473 -4.14 -0.732

gJ " -o.0598

23K " 0.468

hat " —0.95 -1.328 -1.074 -0.740 -2.568

"K * * * constrained to 0 for all ground state fits * * * *

 

#All constants are in units of cm-l.

A blank entry means that the

80

constant was fixed to the corresponding value for H2

35

The infrared GSCD’S, listed in Appendix E, are weighted averages of all
GSCD’s formed from the (010) spectral lines of this analysis and the
(020), (100), and (001) spectral lines from the analysis of Gillis and
Edwards (22). The relative fit of each isotopomer’s GSCD’s is
consistent with our previous comparison of the data sets and the number
and average weights of the GSCD’s. The weighted average of the
microwave fit is 0.221mHz, which is comparable to the experimental
accuracy of the microwave techniques used by Helminger and DeImcia. We
gave the microwave transitions a uniform weight of 100(MM), compared to
an average weight of 1.203 for the infrared GSCD’s. This weighting
scheme is consistent with the relative accuracies of the microwave

frequencies and the v spectral line positions, and is approximately the

2

square of the ratio of the standard deviations of the infrared and
microwave fits. The centrifugal distortion constants are free of any
regular mass dependencies. Therefore, when an octic centrifugal

distortion constant proved not to be statistically significant, we fixed

its value to the corresponding value for H28OSe. Only "K was not

significant for all five isotOpomers, so we fixed its value to zero for

all ground state fits.

We determined the v2 upper state constants for each isotopomer by

fitting the v spectral lines for each isotopomer (see Appendix D),

2
keeping the ground state constants (determined from our ground state
fits) fixed. The five sets of upper state constants are listed in Table
16 for comparison, and the results of the five individual fits are
summarized in Table 17. The weighted average standard deviation of the
fits for all five isotopomers is 0.0017'cm-1, which is comparable to the

standard deviation of the calibration run, 0.0020cmr1.

36

 

 

Table 16. v2 Constants for Individual Isot0pomers of H23e
Watson’s A-Reduced Hamiltonian, Ir Representation

Constant* H276Se H277Se H278Se H28OSe H2828e
YO 1034.5144O 1034.42550 1034.33590 1034.16520 1034.00520
A 8.429920 8.427091 8.424485 8.419019 8.413849
B 7.907179 7.906988 7.906952 7.906887 7.906920
C 3.857970 3.857199 3.856678 3.855472 3.854417
AJ ( x103) 0.61677 0.61163 0.61439 0.61417 0.61989
"JR " -2.2082 -2.1805 -2.2089 -2.2070 -2.2301
"R 3.1860 3.1590 3.1855 3.1814 3.1941
GJ " 0'28684 0.28498 0.28576 0.28592 0.28780
6K " -0.12860 -0.1217 -0.12969 -O.12853 -0.1254O
HJ ( x106) 0.3367 0.2892 0.3190 0.3188 0.4231
HJK " -1.724 -1.421 -1.701 -1.700 -2.198
HKJ " 1.537 1.341 1.413 1.471 1'814
HK " 0.862 0.732 0.965 0.894 0.917
hJ " 0.1677 0.1424 0.1612 0.1613 0.195
hJK " —0.5131 -0.438 -0.5592 -0.5253 -0.4854
hK " 1.2105 1.249 1.263 1.2295 1.3794
LJ (x109) —0.2718 -0.255 -0.785
LJJK " 1.898 2.392 1.785 4.18
LJK " -4.16 -9.71 -4.035 -3.76 -5.12
LKKJ " 14.7 5.77 4.460
LK " -2°65 -7°65 --3.99 --2.87 -3.40
2J " -0.1019 —0.1334 -0.132 -0.3267
"JR " 0.572 0.501
"KJ -1°63 -0.759 -2.31
"K -1.119 -0.852

 

A blank entry means that the

80
2 Se.

*All constants are in units of cmfl.

constant was fixed to the corresponding value for H

37

Table 17. Individual Upper State Fits of v of H Se

 

 

2 2
Standard Deviation of Number of
IsotOpomer Infrared Lines (cm-1) Weighted Lines Average Weight

76 0.0021 233 1.162

77 0.0021 206 0.714

78 0.0016 386 1.874

80 0.0014 502 2.028

82 0.0019 243 1.149
Weighted

0.0017 1570 1.553
Average

 

Again, the relative magnitudes of the five standard deviations are

consistent with the range of quantum numbers exhibited by the five sets

2

and average line weight for each isotOpomer reported in Table 17. In

of v lines, as reported in Table 8, and in the number of weighted lines

contrast with the ground state case, the octic centrifugal distortion

constant 2 was determined to be statistically significant in the upper

K
states of both H28OSe and H278Se.

Simultaneous Analysis of All Isot0pomers

 

The number and variety of spectral lines observed for H2748e were
inadequate to permit an independent analysis of this isotopomer, so an
alternate simultaneous analysis of all six isotopomers was done using
isotopic mass adjustment terms in the energy expressions, as done by
Willson et a1 (22), by Moncur et al (22,22), by Gillis and Edwards
(22323322), and by Lane et a1 (22) (see Appendix A). We calculated'

frequencies using the formula

F = v0 + 6mm + gmAMZ + flxi + £1 AM + a“ AM2)<X1> (III-1)
i a a a. a

38

- £511) + gibAM + a? AMZJOKib> ,
where the subscripts a and b refer to the upper and ground states,
respectively, AM=-80-M, where M is the mass of the selenium isotope in
the isotopomer, and x1 and <Xi> are, respectively, the Hamiltonian
parameters and the expectation values of the associated angular momentum
operators. The number of isotopomers (six), the number of lines

observed (1593), and the reasonably large range of mass differences

present make the H

2Se spectrum an excellent test of the validity of this

procedure.

Table 18. Simultaneous Ground State Fit of All HZSe Isot0pomers

 

Std Dev of IR No. of Std Dev of No. of MW
Isotopomer GSCD Fit (cmfl) GSCD’s Av Wt MW Fit (MHz) Transitions

 

74 0.0083 4 0.040 - None
76 0.0051 160 0.531 11 21
77 0.0048 143 0.228 5.7 21
78 0.0033 356 1.386 4.3 21
80 0.0027 507 1.762 6.5 25
82 0.0042 156 0.548 9.0 21
Weighted
0.0032 1326 1.199 7.6 109
Average

 

Inspection of the ground state rotational constants listed in Table
15 shows a monotonic dependence on the selenium mass for A and C, and no
discernible mass dependence for B. This is not surprising since the b
rotational axis passes through the selenium atom. As a result, we
anticipated no isotOpic mass correction term for B, and indeed, none was
ultimately needed. The results of the simultaneous fit of all ground

state data using isotopic mass correction terms are summarized in Table

39

18. Because the number of H2748e lines assigned was small, we were only
able to form four infrared GSCD’s of non-zero weight for H274Se.
74

Furthermore, no microwave transitions were available for H Se. For

2

these reasons, the relative fit for the H 74Se ground state data was

2
poor compared to the fits observed for the other isotopomers. The
weighted average standard deviation of the fit of the infrared GSCD’s
for all six isotopomers is larger than the corresponding value for the
separate isotopomeric fits, but is of roughly comparable magnitude. 0n
the other hand, the standard deviations of the microwave fits are from
one to two orders of magnitude larger for the simultaneous fit than the
corresponding standard deviations of the separate fits. Possibly more
mass adjustment terms are needed to fit the microwave transitions
simultaneously. However, for fitting the infrared GSCD’s and microwave

transitions together, only a linear mass adjustment term for C and a

linear and quadratic term for A were statistically significant.

Table 19. Simultaneous Upper State Fit of v2 of All HZSe Isot0pomers

 

Standard Deviation of Number of
Isotopomer Infrared Lines (cmfl) Weighted Lines Average Weight

 

74 0.0049 25 0.048
76 0.0036 233 1.162
77 0.0028 206 0.714
78 0.0022 384 1.884
80 0.0020 502 2.028
82 0.0033 243 1.149
Weighted
0.0025 1593 1.531

Average

 

40

Table 20. HZSe MOlecular and Isotopic Mass Adjustment Constants

Watson’s A-Reduced Hamiltonian, Ir Representation

 

(010) State
Constant (cm-1) (95 Z SCI )

Ground State
- *
Constant (cm 1) (95 °/. SCI )

 

 

 

- - 1034.16480 0.0022
A 8.1699110 0.000076 8.419086 0.00032
B 7.7268551 0.000069 7.906891 0.00030
c 3.9016434 0.000052 3.855543 0.00012
A3 ( x103) 0.52823 0.0039 0.61405 0.0033
63K " -1.8492 0.012 -2.2045 0.013
AK 2.63873 0.0079 3.1809 0.015
53 " 0.24243 0.0016 0.28562 0.0018
6K " -0.18410 0.0043 -0.12844 0.0037
HJ ( x106) 0.2173 0.036 0.3152 0.018
HJK " -1.227 0.15 —1.651 0.18
HKJ " 1.184 0.10 1.399 0.44
HK 0.553 0.68 0.929 0.28
hJ " 0.1090 0.016 0.15915 0.0099
hJK " -0.416 0.12 -0.5411 0.094
hK " 0.797 0.19 1.2692 0.093
L ( x109) -0.2 0.13
J 29
LJJK " 1°241 0.44 1.735 0.95
LJK " -3.92 3.2
LKKJ 4.62 3.7
LK " -2.78 1.7
gj " -0.11867 0.0084
23K 0.555 0.40 0.577 0.48
“K3 " -0.685 0.90
2K " (Constrained to 0) -1.049 0.71

 

41

Table 20 (cont’d.)

 

 

 

 

Ground State (010) State
Constant (cm-1) (95 Z SCIa) Constant (cm-1) (95 Z SCIb)
gm ( x102) — - 8.33 0.068
25

am( x103) - - 1.225 0.21
6“ ( x103) 2.47000 0.0038 2.5326 0.019
6“( x105) 3.340 0.14 ' 3.070 0.66
c 4
6 (x10 ) 5.640 0.10 5.5906 0.065

 

*
952'. simultaneous confidence intervals, here about 6 times the standard
errors of each constant.

951% simultaneous confidence intervals, here about 8 times the standard
errors of each constant.

A blank entry means the constant was fixed to the corresponding value

for H2808e.

‘m. n-..

42

The simultaneous fit of the v2 upper states was apparently more
successful in approaching the goodness of fit of the separate fits of
the isotOpomers. The results of this fit are summarized in Table 19.
The weighted standard deviation is 0.0025cmfl, which is close to the
standard deviation of the calibration fit. The upper state constants in
Table 16 show a mass dependence similar to the one observed for the
ground state Constants, with the obvious addition of the band centers,

v The molecular constants and isotopic mass adjustment constants that

0'
we obtained from the simultaneous ground state fit and from the

simultaneous upper state fit (keeping our constants determined in the

simultaneous ground state fit fixed) are listed in Table 20.

Determinable Coefficients of HOEE.

 

In addition to the molecular constants corresponding to Watson’s
A-reduced Hamiltonian, evaluated in the Ir representation, we are
reporting Watson’s determinable coefficients for the ground state and
the v2 upper state for the five most abundant isotopomers of HZSe. The

ground state determinable coefficients for the five most abundant

isotopomers are listed in Table 21 and the v upper state determinable

2
coefficients are listed in Table 22. The variation in the sign and
magnitude of the values obtained for the constants szz and 04 in both
the ground and upper states suggest that either they are not well

determined, or that the small terms ignored by Watson in his formulation

of the determinable coefficients are not negligible.

Table 21.

43

Ground State Determinable Coefficients of H Se

 

 

 

2

¢ 76 77 78 80 82
Constant H2 Se H2 Se H2 Se H2 Se H2 Se
X 8.1814854 8.1787490 8.1760651 8.1709111 8.1660047

7.7259709 7.7259835 7'7259664 7.7259552 7.7259391

Z 3.9033259 3'9027046 3.9020918 3.9009028 3.8997762

3
Txx ( XIO ) -1.31947 --1.32012 -1.31704 —1.31514 -1.31274
Tyy -1.01310 -l.01452 -1.01300 -1.01262 -1.01179
Tzz -0.04138 -0.04220 -0.04340 -0.04302 -0.04513
T1 0.26696 0.26094 0.26483 0.26634 0.27113
T2 0.53483 0.49731 0.52155 0.53068 0.56625

6
Qxxx( XIO ) 0'7064 0.6973 0.6934 0.6918 0.6628
¢yyy 0.4382 0.4563 0.4182 0.4238 0.4220
0222 -O.0086 -0.0061 -0.0022 -0.0010 0.0576
01 -2.4500 -1.7315 -2.2180 -2.3494 -3.3899
02 -5.1723 —4.5955 -5.4702 -5.3910 -5.1334
03 -3.6038 -3.8314 -3.2792 —3.4833 -3.8538
44 0.2860 -0.1985 -0.0126 ’0.0779 0.3914
*All constants have units of cm-l, except for T2, 02, 03, and 04,

which have units of cm. .

2

44

Table 22. (010) Upper State Determinable Coefficients of H Se

 

 

2
¢ 76 77 78 80 82
Constant H2 Se H2 Se H2 Se H2 Se H2 Se
8.431153 8.428315 8.425514 8.420248 8.415089
7.905888 7.905704 7.905660 7.905593 7.905605
3.857311 3.856568 3.856010 3.854808 3.853752
3
xx ( X10 ) -1.59455 -1.59011 -1.59100 -1.58858 -1.58384
22 -0.O4309 -0.04167 -0.04287 -0.04232 -0.04429
0.35792 0.34565 0.36569 0.36449 0'37046
1.1751 1.13775 1.22099 1.22261 1.26638
1.0123 0.9410 0.9965 0.9839 0.9565
0.6720 0.5739 0.6415 0.6414 0.8140
0.0013 0.0045 -0.0034 -0.0038 0.0323
-2.5256 -1.5097 --3.1971 -3.0207 -3'8386
92 -7.4090 -6.2545 -7.7305 -7.5467 -7.4997
93 -4.2598 -3.7454 -4.5332 -4.3905 -4.4439
94 -0.0269 -0.0511 -0'1145 0°0264 0.3025

 

*All constants have units of cmfl, except for T2, 02, 03, and 04,

which have units of cmfz.

SUMMARY AND CONCLUSIONS

We have reviewed the deve10pment of an effective Hamiltonian
suitable for calculating the vibration-rotation energy levels of an
asymmetric top molecule, from the Darling-Dennison Hamiltonian to the
reduced Hamiltonians proposed by Watson. Because the contact
transformations necessary to properly reduce the Hamiltonian through
terms of order P8 have only been carried out rigorously for Watson’s
A-reduced Hamiltonian, we used this Hamiltonian for our final
calculations. However, we found it necessary to use the Ir rotational
representation, formerly reserved for "prolate" asymmetric t0p
molecules, to obtain stable fits of spectral data for "oblate"
asymmetric top molecules with Watson’s Arreduced Hamiltonian. Several
investigators have identified the reason for this anomaly to be the

large size of the s 1 parameter in this reduction for oblate asymmetric

11
top molecules in the IIIr rotational representation. Therefore, we
report the effective constants obtained by fitting the data to Watson’s
A-reduced Hamiltonian in the Ir rotational representation for the v2
bands of H28 and H2Se. In addition, in order to simplify the comparison
of our results with the results of other investigators who may use

different reduced Hamiltonians or different rotational representations,

we have calculated and reported Watson’s determinable coefficients for

32

H2

8 and five of the isotopomers of HZSe.

Because Watson’s Arreduced Hamiltonian in the IIIr rotational
representation apparently failed to produce a stable fit of spectral

data, we used Typke’s Hamiltonian, limited to terms through order P6,
45

46

for our initial analysis of v2 of H28. With our new understanding about

the appropriate rotational representation for Watson’s A-reduced

Hamiltonian, we have reanalyzed our v2 data for H28 using Watson’s

A-reduced Hamiltonian including terms through order P8. Using the ground

state constants for all three isotopomers of H S determined by Flaud et

upper state constants for H2338 and

2
al.,we have obtained separate v

34S, as well as H2328 ground state and v

2

H upper state constants that

2 2

are in good agreement with the results of other investigators.

We have individually analyzed the ground state and v upper state

2

of the five most abundant isotopomers of H Se. We have also performed a

2

simultaneous analysis of all six naturally occurring isotopomers,

including H274

molecular constants. Using this procedure, we have fit about 1600 H28e

Se, using isotopic mass adjustments on some of the

spectral lines from all six stable isotopomers using only 56 constants
in place of the 240 constants that are required to fit five isotopomers

individually.

 

REFERENCES

 

REFERENCES

1. B. Bezard, A. Marten, J.-P. Baluteau, D. Gautier, J.—M. Flaud, and
C. Camy-Peyret, Icarus, _§_5_, 259-271 (1983).

2. B.T. Darling and D.M. Dennison, Phys. Rev. E1, 128-139 (1940).
3. E. B.Wilson and J. B. Howard, J. Chem. Phys. 4, 260-268 (1936).
4. J.K.G.Watson, J. Chem. Phys. 4_6_, 1935-1949 (1967).

5. M. Goldsmith, G. Amat and H. H. Nielsen, J. Chem. Phys. 24, 1178-1182
(1956).

6. G. Amat, M. Goldsmith and H. H. Nielsen, J. Chem. Phys. 21, 838-844
(1957).

7. G. Amat and H. H. Nielsen, J. Chem. Phys. _27_, 845-850 (1957).

8. G. Amat and H.H. Nielsen, J. Chem. Phys. 29, 665-672 (1958).

9. G. Amat and H.H. Nielsen, J. Chem. Phys. 26, 1859-1865 (1962).
10. K. T. Chung and P. M. Parker, J. Chem. Phys. 28, 8-17 (1963).

11. K. T. Chung and P. M. Parker, J. Chem. Phys. _4_3_, 3865-3868 (1965).
12. K. T. Chung and P. M. Parker, J. Chem. Phys. _4_3_, 3869-3874 (1965).

13. F. X. Kneizys, J. N. Freedman and S. A. Clough, J. Chem. Phys. _4_4,
2552-2556 (1966).

14. Ch. V. S. R. Rao, J. Mol. Spectrosc. 102, 79-88 (1983).
15. K. K. Yallabandi and P. M. Parker, J. Chem. Phys. _4_9_, 410-419 (1968).

16. V. Typke, J.Mol. Spectrosc. 62, 170-179 (1976).
47

17.

18.

19.

20.

21.

22.

23.

24.

25.

26.

27.

28.

29.

30.

31.

32.

48

J. H. Carpenter, J. Mol. Spectrosc. i6, 348-357 (1973).
B. P. van Eijck, J. Mol. Spectrosc. _5__3_, 246-249 (1974) .
J. K. G. Watson, J. Chem. Phys. _4_8, 4517-4524 (1968).

L. L. Strow, J. Mol. Spectrosc. _9_7_, 9-28 (1983) .

W. F. Murphy, J. Mol. Spectrosc. _8_g, 561-565 (1981) .

Wm. C. Lane, T. H. Edwards, J. R. Gillis, F. S. Bonomo and F. J. Murcray,
J. Mol. Spectrosc. _9_5_, 365-380 (1982) .

J.-M. Flaud, C. Camy-Peyret and J.W.C.Johns, Can. J. Phys., _6_1, 1462-
1473 (1983).

P. Helminger, R. L. Cook and F. C. De Lucia, J. Chem. Phys. 26,
4581-4584 (1972) .

D. M. Cameron, W. C. Sears and H. H. Nielsen, J. Chem. Phys. 1,
994-1002 (1939).

E.D.Palik, J. Mol. Spectrosc. 2, 259-295 (1959).

P. Helminger and F. C. De Lucia, J. Mol. Spectrosc. _5_8_, 375-383
(1975).

R.A. Hill and T.H. Edwards, J. Chem. Phys. 42, 1391-1396 (1965).
J. R. Gillis and T. H. Edwards, J. Mol. Spectrosc. _85_, 74-84 (1981).

W. B. Olson, A. G. Maki and W. J. Lafferty, J. Chem. Phys. Ref. Data
_1_0_, 1065-1084 (1981).

P. D.Willson, N. K. Moncur and T. H. Edwards, J. Mol. Spectrosc. 22,
196-208 (1974).

N. K. Moncur, P. D. Willson and T. H. Edwards, J. Mol. Spectrosc. 2.:
181-195 (1974).

49

33. N. K. Moncur, P. D. Willson and T. H. Edwards, J. Mol. Spectrosc. 2,
380-391 (1974).

34. J. R.Gillis and T.H. Edwards, J. Mol. Spectrosc. _8_1_, 373-389 (1980).

35. J. R.Gillis and T.H.Edwards, J. Mol. Spectrosc. _8_5_, 55-73 (1981).

APPENDICES

APPENDIX A

JOURNAL OF MOLECULAR SPECTROSCOPY 95, 365-380 (1982)

Analysis of 172 of H23

WM. C. LANE AND T. H. EDWARDS

Department of Physics. Michigan Slate University. East Lansing. Michigan 48824

AND

JAMES R. GlLLIS, FRANCIS S. BONOMO, AND FRANK J. MURCRAY
Department of Physics. University of Denver, Denver. Colorado 80208

The infrared absorption spectrum of it; of H25 in the region from 1000 to 1500 cm" was
obtained with a resolution limit of <0.05 cm" on the University of Denver 50-cm FTIR
spectrometer system. We have assigned 387 lines due to H2328, 75 lines due to HZJ‘S. and 15 7
lines due to H2”S, and have analyzed them using Typke‘s reduction of Watson‘s Hamiltonian.
Slightly revised ground-state constants for the 32 isotOpe were obtained from a simultaneous
fit of the microwave transitions observed by Helminger. Cook. and De Lucia. combined with
weighted averaged ground-state combination differences formed from the infrared bands (010).
(020), (100), (001 ), (l 10), (01 1), (210), and (l 1 1). The standard deviation for the fit was 0.0018
cm" for the infrared data and 0.000032 cm‘l for the microwave lines. Upper-state constants
for the 32 isotope were obtained from a least-squares fit of the spectral lines of Hg, keeping the
ground-state constants fixed to the values determined by the combination difference fit. The
standard deviation of the (010) line fit was 0.0017 cm’I for the 32 isotope. Ground-state and
upperostate isotopic mass adjustment constants were determined in a simultaneous fit of lines
of H2”S and 1123‘s, keeping the ground-state and upper-state constants for the 32 isotope fixed.

1. lNTRODUCTlON

Low-resolution studies of the v2 bending fundamental band of H28 date back at
least as far as 1905 when Coblenz (1) located several HZS infrared absorption bands
with a low dispersion prism spectrometer. Among these bands was one centered at
8.46 microns, or 1182 cm", a value remarkably close to the currently accepted
value of the v; band center. Later investigators such as Rollefson (2), Mischke (3),
Mecke (4), Bailey et al. (5), and Sprague and Nielsen (6) reported different values
for the band center, ranging from 1180 to 1250 cm".

In 1951, Allen and Cross (7) reanalyzed the data of the previous investigators
and concluded that the band center of 1:2 was near 1 183 cm“. Reasonable estimates
of A, B, and C were also produced. In 1956, Allen and Plyler (8) obtained a new
spectrum at a resolution limit of 0.3 cm". They identified about 55 transitions for
J 5 6, fit the spectrum with an average deviation of 0.08 cm", and produced better
values for A, B, and C. ‘

Recently Gillis and Edwards (9) analyzed the other two fundamentals v, and 173,
as well as 2172, at a resolution limit of 0.05 cm" and with a standard deviation of
0.0052 cm“1 for the simultaneous fit of u, and v3, and 0.0040 cm’l for the fit of 21:2.

365 I 0022-2852/82/100365-16502.00/0
Copyright © 1982 by Academic Press. inc.
All rights of reproduction in any form reserved.

51

366 LANE ET AL.

TABLE 1

Experimental Conditions

 

 

Run 1 2 3 4 5
Region (cm-1) 1010-1350 1010-1350 950-1350 1150-1500 1150-1500
Sample Pressure (torr) 88 88 210 41 161
Path Length (cm) 22 22 22 45 45
Linewidth (cm'l) 0.06 0.06 0.10 0.04 0.08
Number of scans co-added S 7 8 3 4
Calibration N 0* i- 1' r +

2

 

 

*Spectrum of 28 torr N 0 in a S cm cell was recorded simultaneously with H25 spectrum.
See ref. (10) for N20 ine positions.

+Calibrated against well resolved H25 lines from run 1.

In this work we have run the u; band under higher resolution, assigned 477 tran-
sitions, including. some for H2348 and H2338, revised the existing vibration—rotation
constants, and obtained values for the upper-state constants through sextic terms
in angular momentum.

II. EXPERIMENTAL DETAILS

A sample of electronic grade H28 (99.99% purity, less than 50 ppm C02) donated
by Scientific Gas Products, Incorporated, was used without further purification.
Several runs of the spectrum of v2 of H28 were recorded using the University of
Denver SO-cm FTIR spectrometer system. All spectra were recorded at room tem-
perature (~22°C). Several scans for each run were recorded and coadded to improve
the signal-to-noise ratio. Experimental conditions are given in Table 1. Although the
instrument resolution is nominally 0.02 cm“, the actual observed full widths at
half-height of weak to moderate intensity well-resolved lines are pressure broadened
from 0.04 to 0.10 cm" depending on sample pressure. Only short sample cells were
available, making necessary relatively high pressure for adequate absorption.

In run 1 the spectra of HZS and N20 were recorded simultaneously. The precisely
measured (10°0-00°0) '4N2'6O line positions of Olson et al. (10) were used for
calibration. The calibration fit of run 1 indicated that the line positions of well-
resolved lines are accurate to :0.002 cm“. Calibrations of the remaining spectra
were performed using well-resolved HZS lines from run 1 as secondary calibration
standards. It was observed that strongly absorbing, heavily pressure-broadened lines
in the high-pressure spectra are shifted systematically about 0.007 cm‘| toward lower
frequency relative to the line positions of run 1 or 2. As line intensity and linewi‘dth
decrease, the shift in line position decreases smoothly to zero. This effect is caused
by small errors in the phase correction of the interferograms before transformation.
These phase errors cause the lineshapes in the transformed spectra to be slightly
asymmetric, and line centers are shifted more for broad lines than for narrow lines.
In order to minimize line position errors, the line positions used for fitting the

52

172 OF H28

TABLEII

Ground-State Constants of H2325

367

 

Constant (cm‘l)

*951 set (cm‘l)

 

Di
Dix
0k
65
”6

”5
“ix
”1'0
“k

“5
“6

H10

10.361617

9.016158

4.7312563

x10.3

H

.10301
-3
.9684 x10

H

2

x10-3

0

.92780

-3
.20865x10

O

-3
-0.277934x10

-6
.4495x10

-l.5705x10

O

6

x10-6

H

.8669

-0.74S3x10

6

x10.6

O

.3345

-6
.8941x10
6

.2428x10

00

0.00011
0.00010

0.000050
.0025x10'3

.0038x10'3

.0026x1o‘3

.0015x10'3

OOOOO

.oooszxio‘3

.025x10'6

.072x10'6

.095x10'6

6

.045x10'6

.050x10‘5

0

0

0
0.045x10-
0

0

0 6

.020x10-

 

 

Standard deviation of 414 weighted averaged infrared GSCD's = 0.0018 cm'l.
Standard deviation of 39 microwave transitions* = 0.000032 cm'1 (0.96 MHz).

1'95! SCI (simultaneous confidence intervals), here

the associated rotational constants.

'See reference (19).

6 standard errors of

spectra were taken from the lowest-pressure run which gave adequate absorption

to observe the line.

Because the spectrometer system has about a l-m optical path open to the at-
mosphere, some atmospheric water lines appear in the high-frequency end of the
spectrum. The spacings between these lines are wide enough so that very few H28

lines are obscured.

IU.THEORY

We analyzed the spectra using Typke’s reduction of Watson’s Hamiltonian (11)
for the rotational part of the vibration-rotation Hamiltonian, viz.,

H = A'Pi + B’Pi + C'PE - D’JP4 - D’JKPZPE - D'KP‘; - 26’JP2(Pi - P?)
+ mm + H’JP" + H’JKP‘PE + H'KJPZP: + H'KPE + 11313409: - Pg)
+ (1/2)H1<.P20 + H'.o(P§ — P303. (1)

53

368 LANE ET AL.

TABLEIH

Upper-State Constants for u; of H2328

 

 

*Line Fit . usco Fit

Constants (cm'l) +95% SCI (cm'l) Constants (cm’l) 1‘95: SCI (cm'l)
A' 10.723545 0.00020 10.723909 0.00033
3' 9.221868 0.00022 9.221714 0.00028
c' 4.669494 0.00010 4.669558 0.00017
05 1.34963x10'3 0.00221110'3 1.35255x10‘3 0.0047x10'3
05K -2.ss989x10'3 0.0053x10’3 -2.56375x10’3 0.0086x10‘3
”k 1.27254xio'3 0.0035210‘3' 1.27439x10'3 0.0048x10'3
65 0.27802xio’3 0.0020x10'3 0.28265x10‘3 0.0044x10'3
R6 -0.327134x10'3 0.00072x10‘3 -0.32817x10‘3 0.0015x10‘3
H5 0.6419x10‘6 0.012x10'6 0.6637x10'6 0.034x10‘6
85K -2.3862x10'6 0.0mm"6 -2.4350x10'5 0.089x10‘6
de 2.9812x10'6 0.061x10'6 3.03,,x10‘6 0.095x10'6
‘Hk -1.2367x10'6 0.027x10'5 -1.2584x10‘6 0.038x10'6
Hg 0.4529x10'6 0.022xio'6 0.5249x10'6 0.084;:10'6
Hé 1.1438x10'6 0.024x10‘6 1.2029x10'6 0.0921(10'6
Hi0 0.3102x10‘6 0.014x10‘6 0.3373x10‘6 0.030x10'6
6° 1182.5753o 0.0018

 

 

Standard deviation of 387 112325 lines - 0.0017 cm'l.

Standard deviation of 328 H2325 v2 upper state combination differences a 0.0019 cm'l.

4|’95! SCI (simultaneous confidence intervals). here ; 6 standard errors of the
associated constant.

*Recammended set of constants.

where
0 = P1+ P; - 3(PiPfi + PiPi).

Because H2S is an oblate asymmetric rotor molecule, rotatiOnal Hamiltonians
were evaluated in the III ’ representation (a = x, b = y, c = z) with the molecule
in the xy plane. The analysis was performed treating the 172 band as unperturbed.

The number and selection of transitions observed for H23‘S and H233S was in-
adequate to permit good separate analyses for those isotopic species; hence the H233S
and H23‘S isotOpic species were fit simultaneously using isotopic mass adjustment
terms in the energy expressions, as done by Willson et al. (12), by Moncur et al.
(13, 14), and by Gillis and Edwards (9, 15, 16).; Frequencies were calculated via the

54

,2 OF H28 369

TABLE IV

Isotopic Constants from v: of H25

 

 

 

 

Constant (cm'l) +95: scx (cm-1)

A -3 -3

‘6 18.331x10 0.68x10

8 . —3 -3

Cb 0.132x10 0.33x10

0 -3 -3

tb 3.813x10 0.18x10

A -3 -3

a, 18.629x10 0.52x10

8 -3 -3

5a 0.397x10 0.31x10

c ‘-3 -3

5a 3.752x10 0.16x10

5” 0 580 o 0081

I 39 I
m
5 0.02189 0.0039
Standard Deviation slumber of Average

Isotope of Fit (cm‘ ) ileighted Lines Weight
02325 0.0017 387 2.882
”2335 0.0035 15 0.923
"234s 0.0027 75 1.579

All . 0.0018 477 2.615

f95% SCI (simultaneous confidence intervals), here ; 4 standard errors of the
associated constant.

formula:

F = yo + PAM + £"""(AM )2 + Z ()6! + Ea‘AM )(X‘).
- 2. 0c." + Eb’AMX/i’ifiv (2)

where a and b refer to the upper and ground states, respectively, AM = 32 - M,
where M is the mass of the sulfur isotope involved in the particular transition and
x‘ and (X ‘) are, respectively, the Hamiltonian parameters and the expectation
values of the associated momentum operators in the Hamiltonian space of the 32
isotope.

IV. ANALYSIS

The analysis of 172 of HZS was straightforward and presented few difficulties for
the following reasons:

(1) The spectrum was well enough resolved that most observed lines were

55

370 LANE ET AL.

TABLE V

Assigned Transitions of u; of H28

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

J K- K+ J K- K* (CH-1) (CM-1)

7 3 4 8 6 3 1003.456 0.003 0.05 32
13 6 8 14 5 9 1025.427 ~0.016 0.05 32
13 0 13 14 l 14 1039.307 0.009 1.25 32

7 7 0 8 8 1 1040.125 0.009 0.05 32

7 6 1 8 7 2 1043.280 0.002 0.25 32
12 1 12 13 0 13 1049.843 0.004 0.25 32

6 5 2 7 6 1 1054.392 0.005 0.05 32

6 6 1 7 7 0 1055.193 0.007 0.05 32
11 0 11 12 1 12 1060.284 0.000 1.25 32
10 2 9 11 1 10 1067.382 -0.011 0.00 32
10 1 10 11 0 11 1070.631 0.000 1.25 32

9 2 7 10 3 8 1072.205 0.004 0.05 32
11 0 11 11 1 10 1076.184 -0.002 0.05 32

9 1 8 10 2 9 1076.930 0.006 1.25 32

9 0 9 10 1 10 1080.878 0.001 1.25 32

8 2 7 9 1 8 1086.360 0.001 5.00 32
10 1 10 10 2 9 1086.804 -0.003 0.05 32

7 2 5 8 3 6 1089.556 0.002 0.05 32

8 1 8 9 0 9 1091.021 0.001 5.00 32

7 1 6 8 2 7 1095.698 0.004 1.25 32

9 0 9 9 1 8 1097.332 “0.004 0.05 32

6 3 4 7 2 5 1098.271 ‘0.005 0.25 32

7 0 7 8 1 8 1101.059 0.001 5.00 32

6 2 5 7 1 6 1104.930 '0.002 1.25 32

5 2 3 6 3 4 1105.720 0.002 0.25 32

8 1 8 8 2 7 1107.759‘ '0.013 0.00 32

6 1 6 7 0 7 1110.988 -0.001 5.00 32

5 1 4 6 2 5 1114.010 -0.002 1.25 32
12 4 9 12 5 8 1117.482 -0.007 0.25 32

3 2 1 4 3 2 1118.589 0.006 0.05 32

5 0 5 6 1 6 1120.811 0.002 5.00 32

4 1 3 5 2 4 1122.853 0.001 0.00 32

4 2 3 5 1 4 1123.231 -0.004 1.25 32

4 1 4 5 0 5 1130.519 '0.003 5.00 32

3 1 2 4 2 3 1131.019 '0.001 1.25 32

3 2 2 4 l 3 1132.845 0.001 0.05 32

2 1 1 3 2 2 1138.443 '0.001 0.05 32

3 0 3 4 1 4 1140.084 0.000 0.00 32

2 2 1 3 1 2 1144.264 -0.001 1.25 32

1 1 0 2 2 1 1147.354 -0.002 1.25 32

2 0 2 3 1 3 1149.403 0.002 1.25 32

2 1 2 3 0 3 1149.768 ‘0.002 5.00 32

1 0 1 2 l 2 1158.167 -0.001 5.00 32

3 0 3 3 1 2 1159.209 0.004 0.05 32

4 2 3 4 3 2 1159.484 '0.001 0.25 32

1 1 1 2 0 2 1159.947 -0.002 1.25 32

6 4 3 6 5 2 1162.426 0.006 0.05 32

7 3 4 7 4 3 1162.681 0.003 0.05 32

4 1 3 4 2 2 1162.782 0.001 0.05 32

6 5 2 6 6 1 1164.464 0.000 0.05 32

 

individual transitions. In addition there were few molecular contaminants. We ob-
served only a few atmospheric water vapor lines in the high-frequency end of the
spectrum.

(2) All the strong lines were attributable to H232S because of the high natural
abundance of 32$ (95%), compared to 33S (0.8%) and 34S (4.2%).

(3) No perturbations with other bands were expected or observed.

(4) The ground-state constants were already well known.

(5) The known values for the ground-state constants and the 2172 upper-state
constants permitted good initial estimates of the v2 upper-state constants by aver-
aging corresponding ground-state constants and 2172 upper-state constants, e.g.,

56

V2 0F H23 371

TABLE V—Continued

 

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 150
J K“ K‘ J K“ K* (CM-l) (CH-1)
4 3 2 4 4 1 1165.170 '0.001 1.25 32
2 1 2 2 2 1 1166.032 0.000 1.25 32
5 2 3 5 3 2 1167.128 0.002 1.25 32
0 0 0 1 1 1 1167.481 '0.004 0.25 32
5 4 1 5 5 0 1170.509 0.000 0.25 32
6 3 3 6 4 2 1171.486 0.006 0.00 32
3 1 2 3 2 1 1172.070 ‘0.001 1.25 32
4 2 2 4 3 1 1174.012 0.001 0.25 32
7 4 3 7 5 2 1175.056 0.001 0.05 32
5 3 2 S 4 1 1175.084 -0.002 0.25 32
3 2 1 3 3 0 1175.157 -0.001 5.00 32
2 1 1 2 2 0 1176.466 '0.001 1.25 32
1 0 1 l 1 0 1177.089 -0.001 5.00 32
9 6 3 9 7 2 1178.082 ‘0.002 0.05 32
1 1 0 1 0 1 1188.771 -0.001 5.00 32
2 2 0 2 1 1 1191.543 0.000 1.25 32
3 3 0 3 2 1 1196.171 0.001 5.00 32
2 1 1 2 0 2 1196.819 -0.001 1.25 32
3 2 1 3 1 2 1197.494 0.000 5.00 32
1 1 1 0 0 0 1197.964 '0.001 5.00 32
4 3 1 4 2 2 1199.527 0.000 5.00 32
2 2 1 2 l 2 1201.024 0.001 5.00 32
4 4 0 4 3 1 1202.822 0.001 5.00 32
S 4 1 5 3 2 1203.448 0.001 5.00 32
3 3 1 3 2 2 1205.040 0.001 5.00 32
2 0 2 1 1 1 1205.776 0.000 5.00 32
2 1 2 1 0 1 1207.447 ‘0.001 5.00 32
3 1 2 3 0 3 1208.014 0.000 5.00 32
4 2 2 4 1 3 1208.518 -0.001 5.00 32
5 3 2 5 2 3 1209.080 0.000 5.00 32
3 2 2 3 1 3 1209.522 0.002 5.00 32
6 5 l 6 4 2 1209.597 0.000 5.00 32
4 4 1 4 3 2 1210.360 0.002 5.00 32
6 4 2 6 3 3 1210.426 0.000 1.25 32
5 5 0 5 4 1 1211.188 0.001 5.00 32
4 3 2 4 2 3 1212.414 0.000 5.00 32
7 5 2 7 4 3 1213.385 0.000 5.00 32
3 0 3 2 1 2 1215.963 -0.001 5.00 32
3 1 3 2 0 2 1216.294 -0.001 5.00 32
5 4 2 5 3 3 1216.436 0.003 5.00 32
5 5 1 5 4 2 1216.858 0.001 5.00 32
7 6 1 7 5 2 1217.986 0.000 5.00 32
8 6 2 8 5 3 1218.601 0.000 1.25 32
4 1 3 4 0 4 1218.944 -0.001 5.00 32
4 2 3 4 l 4 1219.275 0.000 5.00 32
2 2 1 1 1 0 1219.946 0.001 5.00 32
6 6 0 6 5 1 1220.590 0.002 0.25 32
5 2 3 5 l 4 1220.647 0.000 5.00 32
6 5 2 6 4 3 1221.675 0.001 5.00 32
5 3 3 5 2 4 1221.861 0.000 5.00 32

A '(010) g (1 /2)[A '(000) + A '(020)]. (3)

Inserting the estimated constants into our program INTCALI, we predicted a
spectrum which matched the observed spectrum well enough to enable us to assign
transitions and weights to many lines. A-lso available for assigning transitions was
our program LINESRT, which searches the spectrum for lines separated by fre-
quency intervals equal to ground-state combination differences (GSCDS). The
ground-state quantum numbers of the line pairs are determined by the matching
GSCD, and the upper-state assignments are specified by quantum numbers consis-
tent with the selection rules and constraints on J, K_, K+ for the band type being
analyzed. This procedure requires a good set of GSCDS and improved as our set
of combined GSCDS was refined.

57

372 LANE ET AL.

TABLE V—Continued

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 150
J K- K+ J K- K* (CM-1) (CM-1)
6 3 3 6 2 4 1221.992 -0.001 5.00 32
7 4 3 7 3 4 1222.931 0.000 5.00 32
8 5 3 8 4 4 1223.949 '0.001 1.25 32
3 1 2 2 2 1 1224.278 0.001 1.25 32
6 6 1 6 5 2 1224.331 -0.001 1.25 32
6 4 3 6 3 4 1225.159 0.001 5.00 32
4 0 4 3 1 3 1225.394 0.000 0.25 32
4 1 4 3 0 3 1225.442 0.001 1.25 32
9 6 3 9 5 4 1225.981 0.003 5.00 32
9 7 2 9 6 3 1226.395 -0.001 5.00 32
2 2 0 1 1 1 1227.593 0.000 5.00 32
7 6 2 7 5 3 1228.131 -0.003 5.00 32
5 1 4 5 0 5 1229.272 0.001 5.00 32
5 2 4 5 1 5 1229.336 0.006 1.25 32
3- 2 2 2 1 1 1229.845 0.000 5.00 32
7 7 0 7 6 1 1230.330 -0.001 5.00 32
6 2 4 6 1 5 1231.862 '0.001 5.00 32
6 3 4 6 2 5 1232.143 0.001 5.00 32
7 7 l 7 6 2 1232.523 -0.001 1.25 32
7 3 4 7 2 5 1234.434 '0.001 5.00 32
5 0 5 4 1 4 1234.578 0.001 0.25 32
7 4 4 7 3 5 1235.375 0.001 5.00 32
8 7 2 8 6 3 1235.704 -0.001 5.00 32
8 4 4 8 3 5 1236.651 0.000 1.25 32
4 1 3 3 2 2 1236.724 0.000 5.00 32
4 4 0 4 1 3 1237.324 '0.005 0.05 32
9 5 4 9 4 5 1238.236 0.000 5.00 32
4 2 3 3 1 2 1238.396 0.000 5.00 32
8 5 4 8 4 5 1239.130 0.001 5.00 32
9 8 1 9 7 2 1239.173 -0.002 0.25 32
6 2 5 6 1 6 1239.335 “0.003 0.25 32
8 8 0 8 7 1 1239.995 -0.001 0.25 32
9 7 3 9 6 4 1241.029 -0.005 1.25 32
8 8 1 8 7 2 1241.165 *0.002 5.00 32
4 2 2 3 3 1 1241.321 0.002 1.25 32
7 2 5 7 1 6 1242.500 0.000 5.00 32
7 3 5 7 2 6 1242.556 '0.001 0.25 32
3 3 l 2 2 0 1243.064 0.001 5.00 32
6 1 6 5 0 5 1243.614 -0.001 5.00 32
9 8 2 9 7 3 1244.187 0.003 0.05 32
5 5 0 5 2 3 1245.181 0.000 0.25 32
8 3 S 8 2 6 1245.844 0.000 5.00 32
8 4 5 8 3 6 1246.075 '0.001 5.00 32
5 1 4 4 2 3 1247.196 0.000 5.00 32
5 2 4 4 1 3 1247.535 0.001 5.00 32
3 3 0 2 2 1 1248.378 0.001 5.00 32
10 8 3 10 7 4 1248.608 '0.001 1.25 32
10 7 4 10 6 5 1248.905 0.002 1.25 32
9 4 5 9 3 6 1249.156 -0.001 1.25 32
7 1 6 7 0 7 1249.221 0.002 5.00 32

 

Keeping the ground-state constants fixed, a least-squares fit of the assigned lines
produced revised upper-state constants using our program ISPCFIT, a single band
fitting program. These revised upper-state constants were used to predict the spec-
trum again, allowing more assignments, a new fit, etc. This cycle was repeated several
times and we employed two internal checks on the assignments obtained:

(1) Both GSCDS and USCDs (upper-state combination differences) were
formed from the assigned lines using our program CDFORM. Repeated formations
of the same combination difference via different levels were grouped together for
the purpose of averaging. This procedure helped to detect bad assignments by as-
sociating together lines involving the same upper-state energy levels or the same

 

58

V2 OF H23 373

TABLE V—Continued

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 150

J K- K+ J x— K+ (CM-11 (CM-1)
9 9 0 9 8 1 1249.434 -0.002 0.25 32
9 5 S 9 4 6 1249.898 -o.001 1.25 32
10 5 5 10 4 6 1252.128 0.004 0.05 32
7 0 7 6 1 6 1252.520 -0.001 5.00 32
8 3 6 8 2 7 1252.872 -0 002 5.00 32
10 9 2 10 8 3 1253.320 0.004 0.25 32
4 3 2 3 2 1 1253.465 0.001 5.00 32
10 6 5 10 5 6 1254.094 0.002 5.00 32
3 2 1 2 1 2 1254.253 0.000 5.00 32
9 3 6 9 2 7 1256.730 0.000 1.25 32
5 3 2 4 4 1 1256.763 0.001 0.05 32
5 2 3 4 3 2 1256.897 0.000 5.00 32
6 1 S 5 2 4 1257.009 0.001 1.25 32
6 2 5 5 1 4 1257.066 0.000 5.00 32
8 2 7 8 1 8 1258.967 0.001 5.00 32
10 4 6 10 3 7 1260.706 -0.001 1.25 32
10 5 6 10 4 7 1260.907 0.002 5.00 32
- 8- 1 8 7 o 7 1261.296 -o.001 5.00 32
5 3 3 4 2 2 1261.791 0.001 5.00 32
9 2 7 9 1 8 1263.042 0.000 5.00 32
3 3 1 2 0 2 1263.414 -0.001 1.25 32
11 5 6 11 4 7 1264.615 0.001 1.25 32
11 6 6 11 5 7 1265.231 0.004 0.05 32
7 1 6 6 2 5 1266.589 0.003 5.00 32
4 4 1 3 3 0 1266.934 0.001 5.00 32
10 4 7 10 3 8 1267.347 —0.003 5.00 32
9 1 8 9 0 9 1268.576 0.001 5.00 32
6 2 4 5 3 3 1269.065 0.000 5.00 32
9 0 9 8 1 8 1269.943 0.000 5.00 32
4 4 o 3 3 1 1270.130 0.001 5.00 32
6 3 4 5 2 3 1270.402- 0.001 5.00 32
6 4 2 5 5 1 1270.834 -o.003 0.05 32
11 4 7 11 3 8 1271.777 0.001 1.25 32
11 5 7 11 4 8 1271.830 0.003 0.25 32
10 3 8 10 2 9 1273.059 0.000 5.00 32
4 3 1 3 2 2 1273.470 0.000 5.00 32
6 3 3 5 4 2 1275.803 -0.002 5.00 32
8 2 7 7 1 6 1276.022 0.000 5.00 32
12 6 7 12 5 8 1276.435 0.006 1.25 32
11 3 8 11 2 9 1277.740 0.000 5.00 32
10 2 9 10 1 10 1278.051 0.002 5.00 32
5 4 2 4 3 1 1278.178 0.000 5.00 32
10 1 10 9 0 9 1278.457 -0.001 5.00 32
7 2 5 6 3 4 1279.705 0.000 5.00 32
7 3 5 6 2 4 1279.993 0.001 5.00 32
12 5 8 12 4 9 1282.567 -o.002 1.25 32
11 2 9 11 1 10 1282.921 -0.002 5.00 32
7 5 2 6 6 1 1284.048 0.004 0.05 32
7 5 2 7 2 5 1285.131 -0.011 0.25 32
4 2 2 3 1 3 1285,193 -0.001 1.25 32

 

ground-state energy levels, thus allowing anomalies to be easily recognized. The
GSCDS formed from the (010) band were also compared with the corresponding
weighted averaged GSCDS already available from the (020), (100), and (001) line
assignments of Gillis and Edwards (9), the ( l 10) and (01 1) line assignments of Snyder
and Edwards (17), and the (210) and (1 1 1) line assignments of Edwards, Moncur,
and Snyder (18). Such comparisons, using our program CDCOMPARE, also aided
in identifying any bad GSCDS formed from incorrectly assigned lines.

(2) Our program USEN grouped together lines involving transitions to the
same upper-state energy level. Using the ground-state constants from previous anal-
yses to determine ground-state energy levels, upper-state energy levels were calcu-
lated by adding the appropriate observed transition frequency to each ground-state

59

374 LANE ET AL.

TABLE V—Cominued

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

J K- K+ J K- K‘ (CM'l) (CM-1)
9 1 8 8 2 7 1285.327 0.000 5.00 32
6 4 3 5 3 2 1286.566 0.000 5.00 32
11 0 11 10 1 10 1286.840 -0.002 5.00 32
11 1 10 11 O 11 1287.390 0.002 5.00 32
12 4 9 12 3 10 1287.961 '0.002 1.25 32
4 4 1 3 1 2 1289.271 0.002 5.00 32
4 3 2 3 0 3 1289.408 0.000 5.00 32
8 2 6 7 3 5 1289.835 -0.001 1.25 32
8 3 6 7 2 5 1289.892 0.000 5.00 32
7 3 4 6 4 3 1290.545 '0.001 5.00 32
5 5 1 4 4 0 1291.162 0.001 5.00 32
12 3 10 12 2 11 1292.636 -0.001 5.00 32
5 5 0 4 4 1 1292.864 0.001 5.00 32
7 4 3 6 5 2 1292.922 '0.004 .0.05 32
5 4 l 4 3 2 1293.219 0.000 5.00 32
7 4 4 6 3 3 1294.381 0.000 5.00 32
10 2 9 9 1 8 1294.509 0.001 5.00 32
12 1 12 11 0 11 1295.091 '0.002 5.00 32
12 2 11 12 1 12 1296.599 0.004 5.00 32
13 3 10 13 2 11 1298.014 0.001 1.25 32
9 2 7 8 3 6 1299.760 0.002 5.00 32
8 3 5 7 4 4 1302.463 "0.001 5.00 32
13 0 13 12 1 12 1303.210 ‘0.002 5.00 32
8 4 5 7 3 4 1303.494 0.000 5.00 32
11 1 10 10 2 1303.565 0.001 5.00 32
6 5 2 5 4 1 1303.702 0.000 5.00 32
5 3 2 4 2 3 1304.005 0.000 5.00 32
13 1 12 13 0 13 1305.676 0.005 1.25 32
14 4 11 14 3 12 1307.902 0.005 0.25 32
8 5 3 7 6 2 1308.172 0.001 1.25 32
10 3 8 9 2 7 1309.542 -0.001 5.00 32
8 4 4 7 5 3 1310.979 0.000 5.00 32
14 1 14 13 0 13 1311.196 '0.001 5.00 32
14 3 12 14 2 13 1311.627 '0.001 1.25 32
12 2 11 11 1 10 1312.498 0.001 5.00 32
7 5 3 6 4 2 1312.590 0.000 5.00 32
5 4 2 4 l 3 1312.686 0.001 5.00 32
9 3 6 8 4 5 1313.261 -0.001 5.00 32
9 4 6 8 3 5 1313.501 -0.001 5.00 32
6 5 1 5 4 2 1313.921 0.000 5.00 32
14 2 13 14 1 14 1314.623 0.005 0.25 32
6 6 1 5 5 0 1315.538 -0.001 5.00 32
6 6 0 5 5 1 1316.370 “0.001 5.00 32
5 2 3 4 1 4 1316.687 0.000 5.00 32
5 5 1 4 2 2 1317.626 '0.002 5.00 32
5 3 3 4 0 4 1317.954 0.001 1.25 32
15 0 15 14 1 14 1319.049 0.000 1.25 32
11 2 9 10 3 8 1319.197 -0.001 5.00 32
8 5 4 7 4 3 1319.777 0.001 5.00 32
15 2 13 15 1 14 1320.912 0.003 0.05 32

 

energy level. Upper states were then checked for inconsistencies, which would 1n-
dicate a poorly measured or misassigned line.

After bad assignments had been eliminated and the lines were properly weighted
to reflect the precision of the frequency measurements relative to the previous in-
frared band measurements (9, 15, 16), new GSCDS and USCDs were formed from
the (010) observed frequencies. These GSCDS were combined with the previous set
of combined GSCDS to produce our final set of weighted averaged GSCDS including
data from the infrared bands (010), (020), (100), (001), (l 10), (01 l), (210), and (1 l 1).

Slightly revised ground-state constants were Obtained by using our program
ICDFIT to fit the combined GSCDS simultaneously with the 39 H232S microwave

60

V2 OF H28 375

TABLE V—Continued

 

 

UPPER LOWER OBSERVED OBS'CALC WEIGHT ISO
J K- K+ J K- K+ (CM-1) (CM-1)

13 1 12 12 2 11 1321.308 0.001 5.00 32
9 6 3 8 7 2 1321.893 0.002 0.25 32
6 4 2 5 3 3 1322.549 0.000 5.00 32

10 3 7 9 4 6 1323.661 -0.001 0.25 32

10 4 7 9 3 6 1323.713 ‘0.002 5.00 32
9 4 5 8 5 4 1324.920 -0.002 5.00 32

16 1 16 15 0 15 1326.767 0.000 1.25 32
9 5 5 8 4 4 1327.864 0.000 5.00 32

12 3 10 11 2 9 1328.728 ‘0.003 5.00 32
7 6 2 6 5 1 1329.616 0.001 5.00 32

14 2 13 13 1 12 1329.997 0.003 5.00 32

11 3 8 10 4 7 1333.872 0.000 5.00 32

17 0 17 16 1 16 1334.355 0.005 0.25 32
7 6 1 6 5 2 1335.857 0.000 5.00 32
6 3 3 5 2 4 1336.649 0.003 0.25 32

10 4 6 9 5 5 1336.691 ‘0.007 0.05 32

10 5 6 9 4 5' 1337.511 0.000 5.00 32
6 S 2 5 2 3 1337.698 0.001 5.00 32

13 2 11 12 3 10 1338.139 '0.003 5.00 32

15 1 14 14 2 13 1338.555 '0.006 0.05 32
8 6 3 7 5 2 1339.579 0.000 5.00 32
7 7 1 6 6 0 1340.020 -0.002 5.00 32
6 4 3 5 1 4 1340.088 0.001 5.00 32
7 7 0 6 6 1 1340.406 '0.002 5.00 32
7 5 2 6 4 3 1341.254 0.001 5.00 32

12 4 9 11 3 8 1343.943 -0.003 5.00 32

10 5 5 9 6 4 1346.485 ~0.004 0.05 32
9 6 4 8 5 3 1346.636 0.002 5.00 32

16 2 15 15 1 14 1347.014 0.006 0.05 32
6 2 4 5 1 5 1347.115 0.002 0.25 32
6 3 4 5 0 5 1347.403 -. 0.002 0.25 32

11 4 7 10 5 6 1347.637 '0.001 5.00 32

11 5 7 10 4 6 1347.846 0.001 1.25 32
6 6 1 5 3 2 1348.479 0.001 5.00 32

10. 6 5 9 5 4 1353.505 0.003 5.00 32

13 4 10 12 3 9 1353.885 -0.002 0.25 32
8 7 2 7 6 1 1355.509 70.002 5.00 32
7 4 3 6 3 4 1355.664 -0.001 5.00 32

15 2 13 14 3 12 1356.603 '0.004 0.25 32

12 4 8 11 5 7 1358.250 0.001 0.05 32

12 5 8 11 4 7 1358.299 "0.001 1.25 32
8 7 1 7 6 2 1358.974 -0.001 5.00 32

11 5 6 10 6 5 1359.841 0.001 5.00 32

11 7 4 10 8 3 1360.357 0.000 0.05 32
8 6 2 7 5 3 1360.641 0.001 5 00 32

11 6 6 10 5 5 1362.158 0.005 1 25 32
7 5 3 6 2 4 1363.104 0.001 1.25 32

14 4 11 13 3 10 1363.701 '0.003 1.25 32
8 8 1 7 7 0 1364.600 '0.001 5.00 32
8 8 0 7 7 1 1364.775 0.000 5.00 32

 

lines of Helminger, Cook, and De Lucia (19). The microwave transitions were given
a uniform weight of 1000 compared to an average weight of 5.136 for the infrared
data. The results of the ground-state fit are reported in Table 11.

Keeping our revised ground-state constants fixed, a fit of 387 H2323 lines was
made. The upper-state constants determined in this fit are reported in Table III.

A set of upper-state constants (with the exception of yo) was also determined from
our (010) USCDs using ICDFIT, for comparison with the results of the line fit. Such
a USCD fit does not depend on the ground-state constants and of course uses only
(010) data. The results of this fit are included in Table III.

The two sets of constants are in good agreement. Only the values for A’ and 5’,
determined in the line fit fall outside the 95% simultaneous confidence interval of

61

376 LANE ET AL.

TABLE V—Conrimted

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

J K- K+ J K- K+ (CM-1) (CM-1)

7 6 2 6 3 3 1364.986 *0.002 1.25 32
16 3 14 15 2 13 1365.647 '0.017 0.05 32
11 6 5 10 7 4 1366.384 '0.004 1.25 32

9 7 3 8 6 2 1367.106 ~0.001 5.00 32

6 6 0 5 3 3 1368.077 '0.006 0.05 32

7 3 4 6 2 5 1368.309 '0.001 5.00 32
13 4 9 12 5 8 1368.681 0.002 0.25 32

7 4 4 6 1 5 1369.300 -0.002 5.00 32
12 5 7 11 6 6 1371.543 0.002 0.25 32
12 6 7 11 5 6 1372.220 0.005 1.25 32
15 3 12 14 4 11 1373.393 -0.006 0.25 32

8 5 3 7 4 4 1373.845 -0.001 0.25 32
17 2 15 16 3 l4 1374.591 -0.016 0.05 32
10 7 4 9 6 3 1374.722 0.002 5.00 32

7 2 5 6 1 6 1376.908 0.002 1.25 32

7 3 5 6 0 6 1376.964 -0.001 0.25 32
14 5 10 13 4 9 1378.973 0.005 1.25 32
11 7 5 10 6 4 1380.707 0.005 0.25 32

9 7 2 8 6 3 1381.221 0.000 0.25 32
12 6 6 11 7 5 1382.175 *0.004 0.05 32
13 5 8 12 6 7 1382.590 0.004 1.25 32

9 8 1 8 7 2 1382.981 -0.001 5.00 32

8 6 3 7 3 4 1387.459 0.003 0.05 32
12 7 6 11 6 5 1387.847 0.010 0.25 32

8 4 4 7 3 5 1388.826 0.000 1.25 32
15 4 11 14 5 10 1389.127 0.009 0.05 32

9 9 1 8 8 0 1389.248 0.003 1.25 32

9 9 0 8 8 1 1389.326 0.003 5.00 32

8 5 4 7 2 5 1391.535 0.001 5.00 32

9 6 3 8 5 4 1391.632 0.001 5.00 32
17 3 14 16 4 l3 1392.449 0.019 0.01 32
10 8 3 9 7 2 1394.650 '0.002 1.25 32

8 7 2 7 4 3 1394.928 -0.001 5.00 32
13 6 7 12 7 6 1395.119 0.003 0.05 32

7 7 0 6 4 3 1397.620 0.003 0.05 32

7 6 1 6 3 4 1398.595 -0.001 0.05 32

8 3 5 7 2 6 1398.779 -0.001 1.25 32

8 4 S 7 1 6 1399.023 0.001 1.25 32
10 8 2 9 7 3 1403.254 '0.001 5.00 32
11 8 4 10 7 3 1403.603 0.004 1.25 32

8 3 6 7 0 7 1406.397 -0.003 1.25 32
10 9 2 9 8 1 1406.673 0.001 5.00 32
10 9 1 9 8 2 1407.549 0.000 5.00 32

9 5 4 8 4 5 1408.215 0.000 5.00 32
12 8 5 11 7 4 1409.432 0.008 0.25 32
10 7 3 9 6 4 1409.646 0.001 1.25 32

9 7 3 8 4 4 1413.737 0.001 1.25 32
10 10 1 9 9 0 1413.912 0.008 0.00 32
10 10 0 9 9 1 1413.943 0.005 0.00 32

9 6 4 8 3 5 1414.346 0.001 1.25 32

 

the corresponding constant from the USCD fit. Each set of constants exhibits the
usual correlations between terms involving similar angular momentum operators.
No unusually high correlations were observed, and both sets of constants had com-
parable correlation matrices. We prefer the upper-state constants determined by the
line fit because of the narrower simultaneous confidence intervals on the constants
and the slightly superior fit they yield. An alternative choice would be to use weighted
averages Of each constant.

Since there were not enough H233S and H2348 lines to form sufficient GSCDS to
fit the ground-state isotopic constants independently, the H2338 and H2348 lines were

62

V2 0F H23 377

TABLE V—Conlinued

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 150

J K- K+ J K- K+ (CM-1} (CM-1)
9 4 5 8 3 6 1420.348 0.000 5.00 32
9 5 5 8 2 6 1421.141 0.001 5.00 32
11 9 3 10 8 2 1421.783 -0.001 5.00 32
8 7 1 7 4 4 1424.646 '0.005 0.05 32
10 6 4 9 5 5 1426.299 0.000 1.25 32
11 9 2 10 8 3 1426.599 '0.002 5.00 32
9 8 2 8 5 3 1427.473 '0.001 0.05 32
11 8 3 10 7 4 1428.581 ’0.005 1.25 32
9 3 6 8 2 7 1428.648 -0.001 1.25 32
9 4 6 8 1 7 1428.705 0.000 0.25 32
11 10 2 10 9 1 1432.001 0.004 1.25 32
11 10 1 10 9 2 1432.419 0.005 5.00 32
12 9 4 11 8 3 1432.685 0.004 1.25 32
9 2 7 8 1 8 1435.649 0.000 5.00 32
10 7 4 9 4 5 1438.145 0.001 5.00 32
10 5 5 9 4 6 1441.224 '0.002 1.25 32
10 8 3 9 5 4 1442.545 ‘0.001 1.25 32
11 7 4 10 6 5 1443.367 0.001 0.00 32
10 6 5 9 3 6 1443.390 0.001 0.25 32
12 10 3 11 9 2 1448.347 -0.003 1.25 32
12 9 3 11 8 4 1449.015 '0.011 0.05 32
10 4 6 9 3 7 1450.748 *0.002 1.25 32
12 10 2 11 9 3 1450.871 *0.005 1.25 32
10 5 6 9 2 7 1450.959 0.000 5.00 32
9 8 1 8 5 4 1452.721 ‘0.001 0.25 32
12 11 2 11 10 1 1457.208 0.006 0.05 32
12 11 1 11 10 2 1457.406 0.009 0.05 32
10 4 7 9 1 8 1458.191 0.001 0.05 32
9 7 2 8 4 5 1459.799 0.001 0.05 32
11 6 5 10 5 6 1460.911 ‘0.004 5.00 32
10 9 2 9 6 3 1462.142 '0.001 0.05 32
10 3 8 9 0 9 1464.711 0.000. 0.05 32
11 7 5 10 4 6 1465.973 0.002 0.25 32
11 5 6 10 4 7 1472.474 -0.001 1.25 32
11 6 6 10 3 7 1473.136 0.002 0.05 32
11 ‘4 7 10 3 8 1480.571 0.001 1.25 32
12 8 5 11 5 6 1489.252 0.001 0.25 32
12 9 4 11 6 5 1491.152 -0.002 0.05 32
12 6 6 11 5 7 1493.484 0.000 0.05 32
11 2 9 10 1 10 1493.574 -0.005 0.25 32
12 7 6 11 4 7 1495.282 0.004 0.25 32
11 11 0 10 10 1 1438.539 0.005 1.25 32
12 12 1 11 11 0 1463.029 -0.006 1.25 32
13 10 3 12 9 4 1471.103 -0.026* '0.25 32
13 11 2 12 10 3 1475.670 ~0.016 0.25 32
13 12 1 12 11 2 1482.379 0.000 0.25 32
14 11 3 13 10 4 1494.640 0.032' -0.05 32
7 5 2 7 4 3 1212.791 0.007 0.05 33
3 1 3 2 0 2 1215.705 0.000 0.05 33
4 1 4 3 0 3 1224.850 0.003 0.25 33

 

fit simultaneously using ISPCFIT. For these isotopes, only isotopic constants were
varied, using linear mass adjustment terms for A’, B’, and C’ in the ground and
upper states, and both linear and quadratic mass adjustment terms for the band
center v0, as shown in Eq. (2). During this fit the ground-state and upper-state
constants for H2328 were not varied. The results of this fit are reported in Table IV.
A separate fit of the H2348 lines was also attempted. However, while the constants
obtained were in reasonable agreement with the results Of the simultaneous isotopic
fit, several were not statistically significant. We attribute this to the relatively low
number Of assigned lines and the large number of constants to be determined.
Therefore we report only the results of the simultaneous fit of H2338 and H2348.

63

378 LANE ET AL.

TABLE V—Continued

 

 

UPPER LOWER OBSERVED 585-CAEC WEIGHT 156
J K- K* J K- K+ (CM-1) (CM-1)
5 0 5 4 1 4 1233.987 0.011 0.05 33
4 2 3 3 1 2 1237.772 0.000 5.00 33
5 1 4 4 2 3 1246.599 0.009 0.05 33
7 0 7 6 1 6 1251.908 0.002 0.05 33
6 2 5 5 1 4 1256.454 0.009 0.25 33
4 4 1 3 3 0 1266.226 '0.001 0.05 33
9 0 9 8 l 8 1269.318 0.003 0.05 33
6 3 4 5 2 3 1269.750 0.005 1.25 33
5 5 0 4 4 1 1292.151 '0.001 5.00 33
6 6 1 5 5 0 1314.752 '0.007 1.25 33
6 5 2 5 4 1 1302.911 '0.008 0.25 33
9 8 1 8 7 2 1382.173 0.006 0.25 33
5 0 5 6 1 6 1119.834 “0.003 0.05 34
4 1 4 5 0 5 1129.530 '0.004 0.25 34
2 1 2 3 0 3 1148.733 '0.009 0.05 34
l 1 0 l 0 1 1187.667 '0.001 1.25 34
3 3 0 3 2 1 1194.917 0.001 0.25 34
3 2 1 3 1 2 1196.418 0.000 1.25 34
2 2 1 2 1 2 1199.856 -0.004 1.25 34
5 4 1 5 3 2 1202.205 0.002 5.00 34
2 1 2 1 0 1 1206.310 -0.004 0.05 34
3 1 2 3 0 3 1206.942 0.005 1.25 34
3 0 3 2 1 2 1214.843 -0.001 1.25 34
5 4 2 5 3 3 1215.201 0.005 0.05 34
4 1 3 4 0 4 1217.826 ‘0.003 0.25 34
4 2 3 4 1 4 1218.139 0.000 1.25 34
2 2 1 1 l 0 1218.752 0.000 5.00 34
5 2 3 5 1 4 1219.565 '0.005 1.25 34
3 2 2 2 1 1 1228.640 0.005 0.05 34
6 3 4 6 2 5 1230.994 -0.002 0.25 34
5 0 5 4 1 4 1233.419 0.000 5.00 34
7 4 4 7 3 5 1234.228 0.004 0.05 34
4 2 3 3 l 2 1237.190 '0.001 5.00 34
8 5 4 8 4 5 1237.961 0.000 0.05 34
6 2 S 6 1 6 1238.173 -0.001 0.05 34
3 3 1 2 2 0 1241.783 0.003 0.05 34
6 l 6 5 0 5 1242.446 0.003 0.05 34
5 2 4 4 1 3 1246.341 0.000 0.25 34
7 1 6 7 O 7 1248.047 0.009 1.25 34
7 0 7 6 1 6 1251.339 0.004 5.00 34
8 3 6 8 2 7 1251.692 -0.004 5.00 34
4 3 2 3 2 1 1252.157 0.000 0.25 34
6 1 5 S 2 4 1255.815 0.000' 0.25 34
6 2 5 5 1 4 1255.869 0.001 1.25 34
8 2 7 8 1 8 1257.774 0.007 0.05 34
8 1 8 7 0 7 1260.097 0.000 5.00 34
5 3 3 4 2 2 1260.485 0.003 0.05 34
7 1 6 6 2 5 1265.376 0.000 1.25 34
4 4 1 3 3 0 1265.564 0.000 5.00 34
6 2 4 5 3 3 1267.885 -0.002 0.25 34

 

Table V lists the observed frequencies, assignments, and deviations grouped by
isotope.

V. CONCLUSION

Our analysis of the spectrum of u; of H2325 has led to a set of well-determined
molecular constants, and very good agreement between observed and calculated
frequencies. We have also assigned some lines due to H233S and H2345, but the

number and quality of these lines is insufficient for an analysis of quality comparable
to that for H2328.

64

,2 OF 11.5 379

TABLE V—Continued

 

 

 

 

UPPER LOWER OBSERVED OBS—CALC WEIGHT ISO
J K- K+ J K- K+ (CM-1) (CM-1)
9 0 9 8 1 8 1268.730 0.000 1.25 34
4 4 0 3 3 1 1268.844 0.004 5.00 34
6 3 4 5 2 3 1269.131 -0.002 0.25 34
4 3 1 3 2 2 1272.346 0.007 0.05 34
8 2 7 7 1 6 1274.795 -0.001 5.00 34
10 2 9 10 1 10 1276.823 0.008 0.25 34
10 1 10 9 0 9 1277.229 -0.002 5.00 34
9 1 8 8 2 7 1284.085 -0.001 0.25 34
6 4 3 5 3 2 1285.131 0.003 0.25 34
11 0 11 10 1 10 1285.596 -0.005 0.25 34
11 1 10 11 0 11 1286.147 0.009 0.25 34
8 3 6 7 2 5 1288.632 -0.005 0.25 34
5 5 1 4 4 0 1289.715 -0.001 1.25 34
5 5 0 4 4 1 1291.483 -0.001 5.00 34
5 4 1 4 3 2 1292.056 0.001 5.00 34
12 1 12 11 0 11 1293.844 0.004 1.25 34
9 2 7 8 3 6 1298.490 -0.001 5.00 34
6 5 2 5 4 1 1302.179 ~0.001 0.05 34
11 1 10 10 2 9 1302.292 -0.001 0.05 34
9 3 6 8 4 5 1311.975 -0.003 0.05 34
6 6 1 5 5 0 1314.020 -0.003 5.00 34
6 6 0 S 5 1 1314.896 ~0.004 5.00 34
11 2 9 10 3 8 1317.893 -0.005 0.05 34
8 5 4 7 4 3 1318.229 0.005 0.05 34
10 3 7 9 4 6 1322.346 -0.007 0.05 34
10 4 7 9 3 6 1322.393 "0.008 0.05 34
7 6 2 6 5 1 1328.008 0.000 0.25 34
7 6 1 6 5 2 1334.510 ._ 0.000 5.00 34
8 6 3 7 5 2 1337.866 0.005 0.05 34
7 7 1 6 6 0 1338.434 0.000 0.25 34
7 7 0 6 6 1 1338.846 -0.001 5.00 34
7 5 2 6 4 3 1340.189 0.000 0.25 34
8‘ 7 2 7 6 1 1353.846 0.002 0.05 34
7 4 3 6 3 4 1354.578 -0.007 0.05 34
8 8 1 7 7 0 1362.942 0.004 5.00 34
9 7 2 8 6 3 1379.984 0.003 0.25 34
9 8 1 8 7 2 1381.400 0.005 1.25 34
*Not included in the fit.
.AC3(bKDVVLE[X3h4EbrT

We are grateful to the Scientific Gas Products, Incorporated, 513 Raritan Center, Edison, N. J. 08817,
for providing us with the sample of electronic grade H25.

Note added in proof L. Larrabee Strow, NASA/Goddard Space Flight Center, Greenbelt. Maryland
20771 has kindly sent us prepn'nts of two manuscripts on v; of H28: “Measurement and Analysis of the
12: Band of H25: Comparison among Several Reduced Forms of the Rotational Hamiltonian,“ and “Line
Strength Measurements Using Diode Lasers: The 1’2 Band of H28."

RECEIVED: May 24, 1982

REFERENCES

W. W. COBLENZ, “Infra-Red Spectra," Washington, 1905.
. A. H. ROLLEFSON, Phys. Rev. 34, 604-610 (1929).

. W. ISCHKE, Z. Phys. 67, 106-126 (1930).

. R. MECKE, Z. Phys. Chem. B 16, 421-437 (1932).

-u u.hs:~

65

380 LANE ET AL.

5. C. R. BAILEY, J. W. THOMPSON, AND J. B. HALE, J. Chem. Phys. 4, 625-631 (1936).

6. A. D. SPRAGUE AND H. H. NIELSEN, J. Chem. Phys. 5, 85-89 (1937).

7. H. C. ALLEN AND P. C. CRoss, J. Chem. Phys. 19, 140 (1951).

8. H. C. ALLEN AND E. K. PLYLER, J. Chem. Phys. 25, 1132-1136 (1956).

9. J. R. G1 ILus AND T. H. EDWARDS, J. Mol. Spectrosc. 85, 55-73 (1981).

10. W. B. 01.80 LSON, A. G. MAKI, AND W. J. LAFFERTY, J. Phys. Chem. Ref Data 10, 1065-1084 (1981).
I 1. V. TYPKE, J.M01. Spectrosc. 63, 170-179 (1976).

12. P. D. W1 LLso,N N. K. MONCUR, ANDT. H. EDWARDS. J. Mol. Spectrosc 52, 196-208 ( 1974)
13. N. K. MO NCUR, P. D. WILLSON, ANDT. H. EDWARDS, J. Mol. Spectrosc 52,181— 195 (1974)
14. N. K. MO O,NCUR P. D. W1LLSON,ANDT. H. EDWARDS, J. Mol. Spectrosc 52,380-391 (1974)
15. J. R. GILLIS ANDT. H. EDWARDS, J. MOI. Spectrosc. 81, 373- 389 (1980).

16. J. R. G11Lus ANDT. H. EDWARDs, J Mol. Spectrosc. 85, 74-84 (1981).

17. L. E. SNY NYDER ANDT. H. EDWARDS, J. Mol. Spectrosc. 31, 347- 361 (1969).

18. T. H. EDWARDs, N. K MONCUR, AND L. E. SNYDER, J. Chem Phys. 46, 2139- 2142 (1967)
19. P. HE LEMiNOER, R. L. COOK, AND F. C. DE LUCIA, J. Chem. Phys. 56, 4581-4584 (1972).

ASSIGNED TRANSITIONS OF \)

APPENDIX B

OFHS

 

 

2 2
UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J Ka Kc (cm ) (cm )
7 3 4 8 6 3 1003.456 0.004 0.05 32
13 0 13 14 1 14 1039.307 0.003 1.25 32
7 7 0 8 8 1 1040.125 0.006 0.05 32
-7 6 1 8 7 2 1043.280 0.003 0.25 32
12 1 12 13 O 13 1049.843 0.000 0.25 32
6 5 2 7 6 1 1054.392 0.005 0.05 32
6 6 1 7 7 0 1055.193 0.007 0.05 32
11 O 11 12 1 12 1060.284 -0.002 1.25 32
10 2 9 11 1 10 1067.382 -0.014 0.00 32
10 l 10 11 0 11 1070.631 -0.001 1.25 32
9 2 7 10 3 8 1072.205 0.003 0.05 32
11 O 11 11 1 10 1076.184 -0.002 0.05 32
9 1 8 10 2 9 1076.930 0.004 1.25 32
9 O 9 10 1 10 1080.878 0.001 1.25 32
8 2 7 9 1 8 1086.360 -0.001 5.00 32
10 1 10 10 2 9 1086.804 -0.003 0.05 32
7 2 5 8 3 6 1089.556 0.002 0.05 32
8 1 8 9 0 9 1091.021 0.001 5.00 32
7 l 6 8 2 7 1095.698 0.003 1.25 32
9 0 9 9 1 8 1097.332 -0.004 0.05 32
6 3 4 7 2 5 1098.271 0.004 0.25 32
7 0 7 8 1 8 1101.059 0.001 5.00 32
6 2 5 7 l 6 . 1104.930 ~0.002 1.25 32
5 2 3 6 3 4 1105.720 0.002 0.25 32
8 1 8 8 2 7 1107.759 -0.013 0.00 32
6 1 6 7 0 7 1110.988 -0.001 5.00 32
5 1 4 6 2 5 1114.010 -0.003 1.25 32
12 4 9 12 5 8 1117.482 -0.002 0.25 32
3 2 1 4 3 2 1118.589 0.006 0.05 32
5 O 5 6 1 6 1120.811 0.002 5.00 32
4 1 3 5 2 4 1122.853 0.001 0.00 32
4 2 3 5 1 4 1123.231 -0.005 1.25 32
4 l 4 5 0 5 1130.519 -0.003 5.00 32
3 1 2 4 2 3 1131.019 -0.001 1.25 32
3 2 2 4 1 3 1132.845 0.001 0.05 32
2 1 1 3 2 2 1138.443 0.000 0.05 32
3 0 3 4 1 4 1140.084 0.001 0.00 32
2 2 l 3 1 2 1144.264 -0.001 1.25 32
l 1 O 2 2 1 1147.354 -0.002 1.25 32
2 0 2 3 1 3 1149.403 0.003 1.25 32
2 1 2 3 0 3 1149.768 -0.001 5.00 32
1 O 1 2 1 2 1158.167 0.000 5.00 32

66

67

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.c J Ka Kc (cm ) (cm )

3 0 3 3 l 2 1159.209 0.004 0.05 32
4 2 3 4 3 2 1159.484 -0.002 0.25 32
1 1 1 2 0 2 1159.947 -0.001 1.25 32
6 4 3 6 5 2 1162.426 0.006 0.05 32
7 3 4 7 4 3 1162.681 0.004 0.05 32
4 1 3 4 2 2 1162.782 0.001 0.05 32
6 5 2 6 6 1 1164.464 -0.001 0.05 32
4 3 2 4 4 1 1165.170 -0.002 1.25 32
2 1 2 2 2 1 1166.032 0.000 1.25 32
5 2 3 5 3 2 1167.128 0.003 1.25 32
0 0 0 1 1 1 1167.481 -0.003 0.25 32
5 4 1 5 5 0 1170.509 0.000 0.25 32
6 3 3 6 4 2 1171.486 0.007 0.00 32
3 1 2 3 2 1 1172.070 0.000 1.25 32
4 2 2 4 3 1 1174.012 0.002 0.25 32
7 4 3 7 5 2 1175.056 0.002 0.05 32
5 3 2 5 4 1 1175.084 -0.002 0.25 32
3 2 1 3 3 0 1175.157 -0.001 5.00 32
2 1 1 2 2 0 1176.466 0.000 1.25 32
1 0 1 l 1 0 1177.089 0.000 5.00 32
9 6 3 9 7 2 1178.082 -0.004 0.05 32
1 1 0 1 0 1 1188.771 0.000 5.00 32
2 2 0 2 1 1 1191.543 0.000 1.25 32
3 3 0 3 2 1 1196.171 0.000 5.00 32
2 1 l 2 0 2 1196.819 0.000 1.25 32
3 2 1 3 1 2 1197.494 0.000 5.00 32
l 1 1 0 0 0 1197.964 0.000 5.00 32
4 3 1 4 2 2 1199.527 0.000 5.00 32
2 2 l 2 1 2 1201.024 0.000 5.00 32
4 4 0 4 3 1 1202.822 0.000 5.00 32
5 4 1 5 3 2 1203.448 0.000 5.00 32
3 3 1 3 2 2 1205.040 0.000 5.00 32
2 0 2 1 1 1 1205.776 0.001 5.00 32
2 l 2 1 0 1 1207.447 0.000 5.00 32
3 1 2 3 0 3 1208.014 0.000 5.00 32
4 2 2 4 1 3 1208.518 0.000 5.00 32
5 3 2 5 2 3 1209.080 0.000 5.00 32
3 2 2 3 1 3 1209.522 0.002 5.00 32
6 5 1 6 4 2 1209.597 0.000 5.00 32
4 4 1 4 3 2 1210.360 0.001 5.00 32
6 4 2 6 3 3 1210.426 0.000 1.25 32
5 5 0 5 4 1 1211.188 0.001 5.00 32
4 3 2 4 2 3 1212.414 -0.001 5.00 32
7 5 2 7 4 3 1213.385 0.000 5.00 32
3 0 3 2 1 2 1215.963 0.000 5.00 32
3 1 3 2 0 2 1216.294 0.000 5.00 32
5 4 2 5 3 3 1216.436 0.002 5.00 32
5 5 l 5 4 2 1216.858 0.000 5.00 32
7 6 1 7 5 2 1217.986 0.001 5.00 32

68

 

LOWER

 

UPPER, OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka KC J K.a KC (cm ) (cm )

8 6 2 8 5‘ 3 1218.601 0.000 1.25 32
4 1 3 4 0 4 1218.944 -0.001 5.00 32
4 2 3 4 1 4 1219.275 0.000 5.00 32
2 2 1 1 1 0 1219.946 0.000 5.00 32
6 6 0 6 5 1 1220.590 0.003 0.25 32
5 2 3 5 1 4 1220.647 0.000 5.00 32
6 5 2 6 4 3 1221.675 0.001 5.00 32
5 3 3 5 2 4 1221.861 0.000 5.00 32
6 3 3 6 2 4 1221.992 0.000 5.00 32
7 4 3 7 3 4 1222.931 0.000 5.00 32
8 5 3 8 4 4 1223.949 -0.001 1.25 32
3 1 2 2 2 1 1224.278 0.001 1.25 32
6 6 1 6 5 2 1224.331 0.000 1.25 32
6 4 3 6 3 4 1225.159 0.000 5.00 32
4 0 4 3 1 3 1225.394 0.001 0.25 32
4 1 4 3 0 3 1225.442 0.001 1.25 32
9 6 3 9 5 4 1225.981 0.001 5.00 32
9 7 2 9 6 3 1226.395 -0.001 5.00 32
2 2 0 1 1 1 1227.593 0.000 5.00 32
7 6 2 7 5 3 1228.131 -0.002 5.00 32
5 1 4 5 0 5 1229.272 0.000 5.00 32
5 2 4 5 1 5 1229.336 0.005 1.25 32
3 2 2 2 1 1 1229.845 0.000 5.00 32
7 7 0 7 6 1 1230.330 0.001 5.00 32
6 2 4 6 1 5 1231.862 '0.001 5.00 32
6 3 4 6 2 5 1232.143 0.001 5.00 32
7 7 1 7 6 2 1232.523 0.001 1.25 32
7 3 4 7 2 5 1234.434 -0.001 5.00 32
5 0 5 4 1 4 1234.578 0.002 0.25 32
7 4 4 7 3 5 1235.375 0.000 5.00 32
8 7 2 8 6 3 1235.704 0.001 5.00 32
8 4 4 8 3 5 1236.651 0.001 1.25 32
4 1 3 3 2 2 1236.724 0.000 5.00 32
4 4 O 4 1 3 1237.324 -0.006 0.05 32
9 5 4 9 4 5 1238.236 0.000 5.00 32
4 2 3 3 1 2 1238.396 “0.001 5.00 32
8 5 4 8 4 5 1239.130 0.000 5.00 32
9 8 1 9 7 2 1239.173 -0.001 0.25 32
6 2 5 6 1 6 1239.335 -0.004 0.25 32
8 8 0 8 7 1 1239.995 0.001 0.25 32
9 7 3 9 6 4 1241.029 -0.004 1.25 32
8 8 1 8 7 2 1241.165 0.000 5.00 32
4 2 2 3 3 1 1241.321 0.003 1.25 32
7 2 5 7 1 6 1242.500 0.000 5.00 32
7 3 5 7 2 6 1242.556 -0.001 0.25 32
3 3 1 2 2 0 1243.064 0.000 5.00 32
6 1 6 5 0 5 1243.614 -0.001 5.00 32
9 8 2 9 7 3 1244.187 0.004 0.05 32
5 5 0 5 2 3 1245.181 -0.001 0.25 32

69

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka K.C J K.a K.C (cm ) (cm )

8. 3 5 8 2 6 1245.844 0.000 5.00 32
8 4 5 8 3 6 1246.075 -0.001 5.00 32
5 1 4 4 2 3 1247.196 -0.001 5.00 32
5 2 4 4 l 3 1247.535 0.001 5.00 32
3 3 O 2 2 1 1248.378 0.000 5.00 32
10 8 3 10 7 4 1248.608 0.000 1.25 32
10 7 4 10 6 5 1248.905 0.001 1.25 32
9 4 5 9 3 6 1249.156 0.000 1.25 32
7 1 6 7 O 7 1249.221 0.001 5.00 324
9 9 O 9 8 1 1249.434 0.000 0.25 32
9 5 5 9 4 6 1249.898 -0.002 1.25 32
10 5 5 10 4 6 1252.128 0.005 0.05 32
7 O 7 6 l 6 1252.520 0.000 5.00 32
8 3 6 8 2 7 1252.872 -0.003 5.00 32
10 9 2 . 10 8 3 1253.320 0.004 0.25 32
4 3 2 3 2 1 1253.465 0.000 5.00 32
10 6 5 10 5 6 1254.094 0.000 5.00 32
3 2 1 2 1 2 1254.253 0.001 5.00 32
9 3 6 9 2 7 1256.730 0.000 1.25 32
5 3 2 4 4 1 1256.763 0.001 0.05 32
5 2 3 4 3 2 1256.897 0.000 5.00 32
6 1 5 5 2 4 1257.009 0.000 1.25 32
6 2 5 5 1 4 1257.066 -0.001 5.00 32
8 2 7 8 1 8 1258.967 0.000 5.00 32
10 4 6 10 3 7 1260.706 -0.001 1.25 32
10 5 6 10 4 7 1260.907 0.001 5.00 32
8 1 8 7 O 7 1261.296 -0.001 5.00 32
5 3 3 4 2 2 1261.791 0.001 5.00 32
9 2 7 9 1 8 1263.042 0.001 5.00 32
3 3 1 2 O 2 1263.414 -0.002 1.25 32
11 5 6 11 4 7 1264.615 0.001 1.25 32
11 6 6 11 5 7 1265.231 0.001 0.05 32
7 l 6 6 2 5 1266.589 0.002 5.00 32
4 4 1 3 3 0 1266.934 -0.001 5.00 32
10 4 7 10 3 8 1267.347 -0.002 5.00 32
9 1 8 9 O 9 1268.576 0.000 5.00 32
6 2 4 5 3 3 1269.065 0.000 5.00 32
9 0 9 8 1 8 1269.943 0.001 5.00 32
4 4 O 3 3 1 1270.130 0.000 5.00 32
6 3 4 5 2 3 1270.402 0.001 5.00 32
6 4 2 5 5 1 1270.834 -0.003 0.05 32
11 4 7 11 3 8 .1271.777 0.000 1.25 32
11 5 7 11 4 8 1271.830 0.002 0.25 32
IO 3 8 10 2 9 1273.059 0.000 5.00 32
4 3 1 3 2 2 1273.470 0.000 5.00 32
6 3 3 5 4 2 1275.803 -0.001 5.00 32
8 2 7 7 1 6 1276.022 -0.001 5.00 32
12 6 7 12 5 8 1276.435 0.000 1.25 32
ll 3 8 11 2 9 1277.740 0.000 5.00 32

7O

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a KC (cm ) (cm )
10 2 9 O 1 10 1278.051 0.001 5.00 32
5 4 2 4 3 1 1278.178 0.000 5.00 32
10 1 10 9 O 9 1278.457 0.000 5.00 32
7 2 5 6 3 4 1279.705 0.000 5.00 32
7 3 5 6 2 4 1279.993 0.001 5.00 32
12 5 8 12 4 9 1282.567 -0.005 1.25 32
11 2 9 11 1 10 1282.921 -0.00l 5.00 32
7 5 2 6 6 1 1284.048 0.004 0.05 32
7 5 2 7 2 5 1285.131 -0.011 0.25 32
4 2 2 3 1 3 1285.193 0.000 1.25 32
9 l 8 8 2 7 1285.327 -0.00l 5.00 32
6 4 3 5 3 2 1286.566 0.000 5.00 32
11 0 11 10 1 10 1286.840 0.000 5.00 32
11 1 10 11 O 11 1287.390 0.000 5.00 32
12 4 9 12 3 10 1287.961 -0.002 1.25 32
4 4 1 3 1 2 1289.271 0.001 5.00 32
4 3 2 3 0 3 1289.408 -0.001 5.00 32
8 2 6 7 3 5 1289.835 -0.00l 1.25 32
8 3 6 7 2 5 1289.892 0.000 5.00 32
7 3 4 6 4 3 1290.545 -0.00l 5.00 32
5 5 1 4 4 0 1291.162 0.000 5.00 32
12 3 10 12 2 11 1292.636 0.000 5.00 32
5 5 O 4 4 1 1292.864 0.000 5.00 32
7 4 3 6 5 2 1292.922 -0.004 0.05 32
5 4 1 4 3 2 1293.219 0.000 5.00 32
7 4 4 6 3 3 1294.381 -0.00l 5.00 32
10 2 9 9 1 8 1294.509 0.000 5.00 32
12 1 12 11 0 11 1295.091 0.000 5.00 32
12 2 11 12 1 12 1296.599 0.001 5.00 32
13 3 10 13 2 11 1298.014 -0.001 1.25 32
9 2 7 8 3 6 1299.760 0.002 5.00 32
8 3 5 7 4 4 1302.463 -0.001 5.00 32
13 O 13 12 1 12 1303.210 0.000 5.00 32
8 4 5 7 3 4 1303.494 0.000 ‘ 5.00 32
11 1 10 10 2 9 1303.565 0.000 5.00 32
6 5 2 5 4 1 1303.702 -0.001 5.00 32
5 3 2 4 2 3 1304.005 0.000 5.00 32
13 1 12 13 O 13 1305.676 0.000 1.25 32
14 4 11 14 3 12 1307.902 0.001 0.25 32
8 5 3 7 6 2 1308.172 0.001 1.25 32
10 3 8 9 2 7 1309.542 -0.00l 5.00 32
8 4 4 7 5 3 1310.979 0.001 5.00 32
14 1 14 13 O 13 1311.196 0.000 5.00 32
14 3 12 14 2 13 1311.627 -0.001 1.25 32
12 2 11 11 1 10 1312.498 0.000 5.00 32
7 5 3 6 4 2 1312.590 0.000 5.00 32
5 4 2 4 1 3 1312.686 0.000 5.00 32
9 3 6 8 4 5 1313.261 0.000 5.00 32
9 4 6 8 3 5 1313.501 0.000 5.00 32

71

 

 

UPPER LOWER. OBSERVED OBS-CALC ‘WEIGHT ‘ISO
-1 -1

J K.a KC J Ka KC (cm ) (cm )

6 5 1 5 4 2 1313.921 -0.001 5.00 32
4 2 13 4 1 14 1314.623 -0.00l 'O.25 32
6 6 1 5 5 0 1315.538 0.000 5.00 32
6 6 O 5 5 1 1316.370 -0.00l 5.00 32
5 2 3 4 1 4 1316.687 0.000 5.00 32
5 5 1 4 2 2 1317.626 -0.002 5.00 32
5 3 3 4 0 4 1317.954 0.000 1.25 32
15 O 15 14 1 14 1319.049 0.000 1.25 32
11 2 9 10 3 8 1319.197 0.001 5.00 32
8 5 4 7 4 3 1319.777 0.000 5.00 32
15 2 13 15 1 14 1320.912 0.002 0.05 32
13 1 12 12 2 11 1321.308 0.000 5.00 32
9 6 3 8 7 2 1321.893 0.000 0.25 32
6 4 2 5 3 3 1322.549 0.000 5.00 32
10 3 7 9 4 6 1323.661 0.001 0.25 32
10 4 7 9 3 6 1323.713 -0.001 5.00 32
9 4 5 8 5 4 1324.920 -0.001 5.00 32
16 1 16 5 O 15 1326.767 -0.00l 1.25 32
9 5 5 8 4 4 1327.864 0.000 5.00 32
12 3 10 11 2 9 1328.728 -0.001 5.00 32
7 6 2 6 5 1 1329.616 0.002 5.00 32
14 2 13 13 1 12 1329.997 0.000 5.00 32
11 3 8 10 4 7 1333.872 0.002 5.00 32
17 O 17 16 1 16 1334.355 0.002 0.25 32
7 6 1 6 5 2 1335.857 0.000 5.00 32
6 3 3 5 2 4 1336.649 0.003 0.25 32
10 4 6 9 5 5 1336.691 -0.005 0.05 32
10 5 6 9 4 5 1337.511 0.000 5.00 32
6 5 2 5 2 3 1337.698 0.001 5.00 32
13 2 11 12 3 10 1338.139 0.000 5.00 32
15 1 14 14 2 13 1338.555 -0.009 0.05 32
8 6 3 7 5 2 1339.579 0.000 5.00 32
7 7 1 6 6 0 1340.020 -0.00l 5.00 32
6 4 3 5 1 4 1340.088 0.000 5.00 32
7 7 O 6 6 1 1340.406 -0.001 5.00 32
7 5 2 6 4 3 1341.254 0.000 5.00 32
12 4 9 11 3 8 1343.943 0.000 5.00 32
10 5 5 9 6 4 1346.485 -0.002 0.05 32
9 6 4 8 5 3 1346.636 0.001 5.00 32
16 2 15 15 1 14 1347.014 0.002 0.05 32
6 2 4 5 1 5 1347.115 0.002 0.25 32
6 3 4 5 O 5 1347.403 0.002 0.25 32
11 4 7 10 5 6 1347.637. 0.000 5.00 32
11 5 7 10 4 6 1347.846 0.002 1.25 32
6 6 1 5 3 2 1348.479 0.002 5.00 32
10 6 5 9 5 4 1353.505 0.001 5.00 32
13 4 10 12 3 9 1353.885 0.002 0.25 32
8 7 2 7 6 1 1355.509 0.000 5.00 32
7 4 3 6 3 4 1355.664 0.000 5.00 32

72

 

 

UPPER LOWER OBSERVED _ OBS-CALC WEIGHT ISO
-1 -1

J K.a K.C J K.a KC (cm ) (cm )
15 2 13 14 3 12 1356.603 0.002 0.25 32
12 4 8 11 5 7 1358.250 0.002 0.05 32
12 5 8 11 4 7 1358.299 -0.001 1.25 32
8 7 1 7 6 2 1358.974 0.000 5.00 32
11 5 6 10 6 5 1359.841 0.002 5.00 32
11 7 4 10 8 3 1360.357 0.006 0.05 32
8 6 2 7 5 3 1360.641 0.000 5.00 32
11 6 6 10 5 5 1362.158 0.002 1.25 32
7 5 3 6 2 4 1363.104 0.001 1.25 32
14 4 11 13 3 10 1363.701 0.001 1.25 32
8 8 1 7 7 0 1364.600 0.000 5.00 32
8 8 0 7 7 1 1364.775 0.000 5.00 32
7 6 2 6 3 3 1364.986 -0.001 1.25 32
16 3 14 15 2 13 1365.647 -0.008 0.05 32
11 6 5 10 7 4 1366.384 0.000 1.25 32
9 7 3 8 6 2 1367.106 0.000 5.00 32
6 6 O 5 3 3 1368.077 -0.006 0.05 32
7 3 4 6 2 5 1368.309 -0.00l 5.00 32
13 4 9 12 5 8 1368.681 0.002 0.25 32
7 4 4 6 1 5 1369.300 -0.002 5.00 32
12 5 7 11 6 6 1371.543 0.001 0.25 32
12 6 7 11 5 6 1372.220 0.000 1.25 32
15 3 12 14 4 11 1373.393 -0.001 0.25 32
8 5 3 7 4 4 1373.845 -0.002 0.25 32
17 2 15 16 3 14 1374.591 -0.001 0.05 32
10 7 4 9 6 3 1374.722 0.000 5.00 32
7 2 5 6 1 6 1376.908 0.002 1.25 32
7 3 5 6 O 6 1376.964 -0.001 0.25 32
14 5 10 13 4 9 1378.973 0.001 1.25 32
11 7 5 10 6 4 1380.707 -0.001 0.25 32
9 7 2 8 6 3 1381.221 0.000 0.25 32
12 6 6 11 7 5 1382.175 0.000 0.05 32
13 5 8 12 6 7 1382.590 -0.002 1.25 32
9 8 l 8 7 2 1382.981 0.000 5.00 32
8 6 3 7 3 4 1387.459 0.003 0.05 32
12 7 6 11 6 5 1387.847 0.000 0.25 32
8 4 4 7 3 5 1388.826 0.001 1.25 32
15 4 11 14 5 10 1389.127 0.003 0.05 32
9 9 1 8 8 0 1389.248 0.000 1.25 32
9 9 O 8 8 1 1389.326 . 0.001 5.00 32
8 5 4 7 2 5 1391.535 0.001 5.00 32
9 6 3 8 5 4 1391.632 -0.001 5.00 32
10 8 3 9 7 2 1394.650 -0.001 1.25 32
8 7 2 7 4 3 1394.928 0.000 5.00 32
13 6 7 12 7 6 1395.119 0.001 0.05 32
7 7 0 6 4 3 1397.620 0.004 0.05 32
7 6 1 6 3 4 1398.595 0.000 0.05 32
8 3 5 7 2 6 1398.779 -0.00l 1.25 32
8 4 5 7 1 6 1399.023 0.001 1.25 32

73

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka KC J Ka K.C (cm ) (cm )
10 8 2 9 7 3 1403.254 0.000 5.00 32
11 8 4 10 7 3 1403.603 0.000 1.25 32
8 3 6 7 O 7 1406.397 -0.003 1.25 32
10 9 2 9 8 1 1406.673 0.000 5.00 32
10 9 1 9 8 2 1407.549 0.000 5.00 32
9 5 4 8 4 5 1408.215 0.000 5.00 32
12 8 5 11 7 4 1409.432 -0.004 0.25 32
10 7 3 9 6 4 1409.646 0.001 1.25 32
9 7 3 8 4 4 1413.737 0.002 1.25 32
10 10 1 9 9 0 1413.912 0.002 0.00 32
10 10 O 9 9 1 1413.943 -0.002 0.00 32
9 6 4 8 3 5 1414.346 0.000 1.25 32
9 4 5 8 3 6 1420.348 0.000 5.00 32
9 5 5 8 2 6 1421.141 0.001 5.00 32
11 9 3 10 8 2 1421.783 0.000 5.00 32
8 7 1 7 4 4 1424.646 -0.004 0.05 32
10 6 4 9 5 5 1426.299 0.000 1.25 32
11 9 2 10 8 3 1426.599 0.001 5.00 32
9 8 2 8 5 3 1427.473 0.000 0.05 32
11 8 3 10 7 4 1428.581 0.000 1.25 32
9 3 6 8 2 7 1428.648 0.000 1.25 32
9 4 6 8 1 7 1428.705 0.001 0.25 32
11 10 2 10 9 1 1432.001 -0.00l 1.25 32
11 10 1 10 9 2 1432.419 0.000 5.00 32
12 9 4 11 8 3 1432.685 0.000 1.25 32
9 2 7 8 1 8 1435.649 0.001 5.00 32
10 7 4 9 4 5 1438.145 -0.00l 5.00 32
10 5 5 9 4 6 1441.224 -0.002 1.25 32
10 8 3 9 5 4 1442.545 0.000 1.25 32
11 7 4 10 6 5 1443.367 0.007 0.00 32
10 6 5 9 3 6 1443.390 -0.002 0.25 32
12 10 3 11 9 2 1448.347 -0.001 1.25 32
12 9 3 11 8 4 1449.015 0.004 0.05 32
10 4 6 9 3 7 1450.748 -0.001 1.25 32
12 10 2 11 9 3 1450.871 0.001 1.25 32
10 5 6 9 2 7 1450.959 0.000 5.00 32
9 8 1 8 5 4 1452.721 0.000 0.25 32
12 11 2 11 10 1 1457.208 -0.00l 0.00 32
12 11 1 11 10 2 1457.406 0.001 0.00 32
10 4 7 9 1 8 1458.191 0.003 0.05 32
9 7 2 8 4 5 1459.799 0.000 0.05 32
11 6 5 10 5 6 1460.911 -0.001 5.00 32
10 9 2 9 6 3 1462.142 -0.002 0.05 32
10 3 8 9 O 9 1464.711 0.002 0.05 32
11 7 5 10 4 6 1465.973 -0.003 0.25 32
ll 5 6 10 4 7 1472.474 -0.002 1.25 32
11 6 6 10 3 7 1473.136 -0.002 0.05 32
ll 4 7 10 3 8 1480.571 0.001 1.25 32
12 8 5 11 5 6 1489.252 -0.004 0.25 32

74

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a KC (cm ) (cm )
12 9 4 11 6 5 1491.152 -0.004 0.05 32
12 6 6 11 5 7 1493.484 0.003 0.05 32
11 2 9 10 1 10 1493.574 -0.002 0.25 32
12 7 6 11 4 7 1495.282 -0.003 0.25 32
11 11 0 10 10 1 1438.539 -0.002 1.25 32
12 12 1 11 11 0 1463.029 0.001 1.25 32
13 10 3 12 9‘ 4 1471.103 0.004 0.25 32
13 11 2 12 10 3 1475.670 -0.003 0.25 32
13 12 1 12 11 2 1482.379 0.000 0.25 32
7 5 2 7 4 3 1212.791 -0.004 0.05 33
3 1 3 2 0 2 1215.705 -0.003 0.05 33
4 1 4 3 O 3 1224.850 -0.003 0.25 33
5 O 5 4 1 4 1233.987 0.003 0.05 33
4 2 3 3 1 2 1237.772 0.000 5.00 33
5 1 4 4 2 3 1246.599 0.006 0.05 33
7 0 7 6 1 6 1251.908 -0.008 0.05 33
6 2 5 5 1 4 1256.454 0.001 0.25 33
4 4 1 3 3 0 1266.226 -0.002 0.05 33
9 0 9 8 1 8 1269.318 0.000 0.05 33
6 3 4 5 2 3 1269.750 0.001 1.25 33
5 5 O 4 4 1 1292.151 0.000 5.00 33
6 5 2 5 4 1 1302.911 -0.006 0.25 33
6 6 l 5 5 0 1314.752 0.000 1.25 33
9 8 1 8 7 2 1382.173 0.001 0.25 33
5 O 5 6 1 6 1119.834 -0.006 0.05 34
4 1 4 5 O 5 1129.530 -0.005 0.05 34
2 1 2 3 O 3 1148.733 -0.007 0.05 34
l 1 O 1 0 1 1187.667 0.001 0.25 34
3 3 O 3 2 1 1194.917 0.000 0.05 34
3 2 1 3 1 2 1196.418 0.001 0.25 34
2 2 1 2 1 2 1199.856 -0.004 0.25 34
5 4 l 5 3 2 1202.205 0.002 1.25 34
2 1 2 1 O 1 1206.310 -0.002 0.05 34
3 1 2 3 O 3 1206.942 0.006 0.05 34
3 O 3 2 1 2 1214.843 0.000 0.25 34
5 4 2 5 3 3 1215.201 0.000 0.05 34
4 1 3 4 O 4 1217.826 -0.003 0.05 34
4 2 3 4 1 4 1218.139 -0.00l 0.25 34
2 2 1 1 1 0 1218.752 0.000 5.00 34
5 2 3 5 l 4 1219.565 -0.004 1.25 34
3 2 2 2 1 1 1228.640 0.006 0.05 34
6 3 4 6 2 5 1230.994 -0.003 0.25 34
5 0 5 4 1 4 1233.419 ~0.001 1.25 34
7 4 4 7 3 5 1234.228 0.000 0.05 34
4 2 3 3 l 2 1237.190 -0.00l 5.00 34
8 5 4 8 4 5 1237.961 -0.008 0.05 34
6 2 5 6 1 6 1238.173 -0.001 0.05 34
3 3 1 2 2 0 1241.783 0.002 0.05 34
6 1 6 5 O 5 1242.446 0.002 0.05 34

75

 

 

UPPER LOWER, OBSERVED OBS-CALC ‘WEIGHI' ISO
-1 -1

J Ka K.c J Ka KC (cm ) (cm )

5 2 4 4 1 3 1246.341 0.000 0.25 34
7 1 6 7 0 7 1248.047 0.012 0.05 34
7 O 7 6 1 6 1251.339 0.003 1.25 34
8 3 6 8 2 7 1251.692 -0.002 1.25 34
4 3 2 3 2 1 1252.157 -0.001 . 0.25 34
6 1 5 5 2 4 1255.815 0.000 1.25 34
6 2 5 5 1 4 1255.869 0.001 1.25 34
8 1 8 7 0 7 1260.097 -0.001 ' 5.00 34
5 3 3 4 2 2 1260.485 0.005 0.05 34
7 1 6 6 2 5 1265.376 0.000 5.00 34
4 4 1 3 3 0 1265.564 -0.001 5.00 34
6 2 4 5 3 3 1267.885 0.001 0.25 34
9 0 9 8 1 8 1268.730 0.001 1.25 34
4 4 O 3 3 1 1268.844 0.002 5.00 34
6 3 4 5 2 3 1269.131 0.000 0.25 34
4 3 1 3 2 2 1272.346 0.007 0.05 34
8 2 7 7 1 6 1274.795 0.000 1.25 34
10 1 10 9 O 9 1277.229 -0.001 1.25 34
9 1 8 8 2 7 1284.085 0.001 0.05 34
6 4 3 5 3 2 1285.131 0.009 0.25 34
11 O 11 O 1 0 1285.596 -0.004 0.25 34
8 3 6 7 2 5 1288.632 -0.001 0.05 34
5 5 1 4 4 0 1289.715 0.001 1.25 34
5 5 0 4 4 1 1291.483 -0.001 5.00 34
5 4 1 4 3 2 1292.056 0.000 5.00 34
12 1 12 1 O 1 1293.844 0.003 0.25 34
9 2 7 8 3 6 1298.490 0.003 0.25 34
6 5 2 5 4 1 1302.179 0.005 0.05 34
9 3 6 8 4 5 1311.975 0.005 0.05 34
6 6 1 5 5 0 1314.020 0.001 5.00 34
6 6 O 5 5 1 1314.896 -0.002 5.00 34
10 3 7 9 4 6 1322.346 -0.001 0.05 34
10 4 7 9 3 6 1322.393 -0.00l 0.05 34
7 6 2 6 5 1 1328.008 0.011 0.05 34
7 6 1 6 5 2 1334.510 -0.001 5.00 34
7 7 1 6 6 0 1338.434 0.003 0.25 34
7 7 O 6 6 1 1338.846 0.001 5.00 34
7 5 2 6 4 3 1340.189 0.004 0.25 34
8 7 2 7 6 1 1353.846 0.015 0.05 34
7 4 3 6 3 4 1354.578 0.006 0.05 34
8 7 1 7 6 2 1357.501 -0.005 0.05 34
8 8 1 7 7 0 1362.942 0.000 5.00 34
9 7 2 8 6 3 1379.984 0.000 0.25 34
9 8 1 8 7 2 1381.400 0.000 1.25 34

 

APPENDIX C

 

 

WEIGHTED AVERAGED GSCD'S OF H2323
UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka KC J K.a K.c (cm ) (cm )

2 2 O 0 O 0 58.361 -0.008 1.56 32
2 2 O 2 O 2 20.352 -0.001 5.25 32
2 1 1 1 1 1 36.051 0.001 5.16 32
2 2 1 1 0 1 41.415 0.000 9.81 32
2 O 2 0 0 0 38.017 0.001 2.26 32
2 1 2 1 1 0 18.922 0.000 13.24 32
3 3 O 1 1 0 98.019 0.003 4.58 32
3 3 O 2 1 2 79.095 0.001 7.50 32
3 3 O 3 1 2 22.339 0.003 22.13 32
3 2 1 1 O 1 93.621 -0.001 4.90 32
3 3 1 1 1 1 100.248 -0.002 0.85 32
3 2 1 2 2 1 52.206 -0.001 16.25 32
3 3 l 2 1 1 64.200 0.000 3.75 32
3 2 l 3 O 3 35.945 0.001 13.86 32
3 3 1 3 1 3 43.873 -0.002 1.39 32
3 1 2 1 1 0 75.682‘ 0.001 3.98 32
3 2 2 2 2 0 38.025 0.001 11.08 32
3 1 2 2 1 2 56.759 0.000 17.29 32
3 2 2 2 0 2 58.375 -0.001 2.90 32
3 0 3 1 O 1 57.677 -0.001 11.29 32
3 1 3 1 1 1 56.373 -0.002 7.78 32
3 0 3 2 2 1 16.261 -0.002 12.89 32
3 1 3 2 1 1 20.322 -0.003 12.05 32
4 4 O 2 2 0 138.433 0.000 0.40 32
4 4 0 2 O 2 158.778 -0.008 0.19 32
4 4 O 3 2 2 100.413 0.003 1.09 32
4 4 O 4 2 2 26.466 0.000 9.93 32
4 4 O 4 O 4 82.602 -0.028 0.00 32
4 3 1 2 1 1 131.509 0.001 0.44 32
4 4 1 2 2 1 140.495 -0.005 2.84 32
4 3 1 3 3 1 67.307 -0.001 9.87 32
4 4 1 3 2 1 88.294 0.001 5.61 32
4 3 1 3 1 3 111.183 0.000 0.62 32
4 4 1 3 O 3 124.237 0.000 2.78 32
4 3 1 4 1 3 34.508 0.000 7.58 32
4 4 1 4 2 3 47.242 -0.001 6.61 32
4 2 2 2 2 0 111.955 -0.012 0.55 32
4 2 2 2 O 2 132.322 0.002 0.06 32
4 3 2 2 1 2 135.668 -0.002 1.57 32
4 3 2 3 3 0 56.575 0.000 12.56 32
4 2 2 3 2 2 ' 73.943 0.000 10.05 32
4 3 2 3 1 2 78.912 0.001 14.31 32

76

77

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka K.c J K,a KC (cm ) (cm )

4 2 2 4 0 4 56.162 -0.002 2.40 32
4 3 2 4 1 4 59.790 0.000 6.78 32
4 1 3 2 1 1 97.001 0.001 1.67 32
4 2 3 2 2 1 93.257 0.000 9.70 32
4 1 3 3 3 1 32.802 0.002 4.34 32
4 2 3 3 2 1 41.049 -0.001 16.83 32
4 1 3 3 1 3 76.675 0.000 2.68 32
4 2 3 3 0 3 76.993 -0.001 15.75 32
4 O 4 2 0 2 76.157 0.001 0.04 32
4 1 4 2 1 2 75.875 -0.005 3.17 32
4 0‘ 4 3 2 2 17.780 0.000 5.00 32
4 1 4 3 1 2 19.120 -0.001 8.61 32
5 5 0 3 3 0 179.285 -0.001 5.93 32
5 5 O 3 1 2 201.617 -0.004 0.44 32
5 5 0 4 3 2 122.714 0.004 2.50 32
5 5 O 5 3 2 32.940 0.001 8.31 32
5 4 1 3 2 1 169.967 -0.002 1.18 32
5 5 1 ' 3 3 1 180.764 0.000 0.85 32
5 4 1 3 0 3 205.913 0.000 0.89 32
5 4 1 4 4 1 81.677 0.001 12.05 32
5 5 1 4 3 1 ’113.454 -0.002 1.46 32
5 4 1 4 2 3 128.918 -0.001 7.68 32
5 5 1 4 1 3 147.961 -0.003‘ 0.05 32
5 4 1 5 2 3 33.994 0.000 12.05 32
5 5 1 5 3 3 51.710 -0.002 0.43 32
5 3 2 3 3 0 146.348 0.001 2.25 32
5 3 2 3 1 2 168.688 0.005 2.40 32
5 4 2 3 2 2 174.710 -0.004 0.33 32
5 4 2 4 4 0 74.304 0.000 7.86 32
5 3 2 4 3 2 89.771 -0.001 19.25 32
5 4 2 4 2 2 100.769 -0.001 6.06 32
5 3 2 4 1 4 149.560 -0.001 2.85 32
5 4 2 4 0 4 156.936 0.002 0.04 32
5 3 2 5 1 4 53.521 -0.001 10.68 32
5 4 2 5 2 4 60.846 0.005 1.78 32
5 3 2 6 1 6 35.807 0.013 0.02 32
5 2 3 3 2 1 135.975 0.000 2.90 32
5 3 3 3 3 1 129.051 -0.001 0.25 32
5 2 3 3 O 3 171.919 0.000 1.50 32
5 3 3 3 1 3 172.932 0.005 0.17 32
5 2 3 4 4 1 47.684 0.002 4.78 32
5 3 3 4 3 1 61.743 -0.001 10.06 32
5 2 3 4 2 3 94.926 0.001 16.86 32
5 3 3 4 1 3 96.252 0.000 12.07 32
5 2 3 5 O 5 77.001 0.001 2.45 32
5 3 3 5 1 5 78.050 0.002 0.60 32
5 1 4 3 1 2 115.162 0.001 8.56 32
5 2 4 3 2 2 113.871 -0.001 3.28 32
5 1 4 4 3 2 36.250 0.000 15.45 32

 

78

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka K.c J K.a K.C (cm ) (cm )

5 2 4 4 2 2 39.929 0.000 8.20 32
5 1 4 4 1 4 96.040 0.000 9.87 32
5 2 4 4 0 4 96.094 0.001 2.29 32
5 0 5 3 O 3 94.919 0.000 3.65 32
5 0 5 4 2 3 17.924 -0.001 9.25 32
5 1 5 4 1 3 18.199 -0.005 2.04 32
6 6 0 4 4 0 220.048 0.004 0.46 32
6 6 0 5 4 2 145.742 0.002 0.46 32
6 6 0 6 4 2 41.421 0.006 0.02 32
6 5 1 4 3 1 209.224 -0.015 0.12 32
6 6 1 4 4 1 220.917 0.003 0.41 32
6 5 1 4 1 3 243.736 -0.011 0.06 32
6 6 1 4 2 3 268.164 0.007 0.02 32
6 5 1 5 5 1 95.785 0.002 1.14 32
6 6 1 5 4 1 139.239 0.001 3.23 32
6 5 1 5 3 3 147.490 -0.005 1.78 32
6 6 1 5 2 3 173.234 0.002 0.10 32
6 5 1 6 3 3 35.370 -0.003 4.56 32
6 6 1 6 4 3 57.210 0.000 1.57 32
6 6 1 7 2 5 1.083 -0.015 0.08 32
6 4 2 4 4 0 178.629 0.000 2.09 32
6 4 2 4 2 2 205.096 0.001 0.16 32
6 5 2 4 3 2 213.920 0.002 1.95 32
6 5 2 4 1 4 273.708 0.001 0.02 32
6 5 2 5 5 0 91.209 0.002 8.75 32
6 4 2 5 4 2 104.324 ~0.001 9.36 32
6 5 2 5 3 2 124.147 0.001 4.58 32
6 4 2 5 2 4 165.170 0.004 0.17 32
6 5 2 5 1 4 177.669 0.001 0.35 32
6 4 2 6 2 4 50.514 0.001 2.90 32
6 5 2 6 3 4 62.737 -0.001 3.56 32
6 3 3 4 3 1 173.862 -0.005 0.27 32
6 4 3 4 4 1 163.708 0.003 1.74 32
6 3 3 4 1 3 208.373 -0.002 0.06 32
6 4 3 4 2 3 210.949 0.001 4.62 32
6 3 3 5 5 1 60.415 0.004 0.36 32
6 4 3 5 4 1 82.030 0.001 12.24 32
6 3 3 5 3 3 112.122 -0.001 5.30 32
6 4 3 5 2 3 116.024 0.001 16.19 32
6 4 3 5 0 5 193.025 0.002 0.36 32
6 3 3 6 1 5 74.919 -0.002 5.13 32
6 4 3 6 2 5 77.764 0.000 6.28 32
6 2 4 4 2 2 154.583 0.001 0.96 32
6 3 4 4 3 2 151.183 0.004 2.82 32
6 2 4 4 O 4 210.743 -0.003 0.12 32
6 3 4 4 1 4 210.968 -0.001 1.10 32
6 2 4 5 4 2 53.811 -0.001 5.59 32
6 3 4 5 3 2 61.407 0.000 10.43 32
6 2 4 5 2 4 114.657 0.004 0.87 32

79

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
~ -1 -1

J Ka Kc J Ka Kc (cm ) (cm )

6 3 4 5 1 4 114.928 -0.001 8.32 32
6 2 4 6 0 6 96.971 -0.002 0.48 32
6 3 4 6 1 6 97.203 0.002 2.37 32
6 1 5 4 1 3 133.459 0.005 0.17 32
6 2 5 4 2 3 133.185 0.001 3.37 32
6 1 5 5 3 3 37.203 0.001 5.61 32
6 2 5 5 2 3 38.260 0.001 8.56 32
6 1 5 5 1 5 115.253 0.003 0.60 32
6 2 5 5 0 5 115.259 0.000 4.93 32
6 1 6 4 1 4 113.765 -0.002 3.06 32
6 1 6 5 1 4 17.727 -0.001 1.38 32
7 7 0 5 5 0 260.344 -0.008 0.27 32
7 7 0 5 3 2 293.287 -0.004 0.16 32
7 7 0 6 5 2 169.131 -0.014 0.27 32
7 7 0 7 5 2 51.264 -0.010 0.53 32
7 6 1 5 4 1 249.318 0.002 0.28 32
7 7 1 5 5 1 260.799 -0.003 0.08 32
7 6 1 5 2 3 283.306 -0.004 0.10 32
7 7 1 5 3 3 312.538 0.024 0.00 32
7 6 1 6 6 1 110.077 -0.001 6.34 32
7 6 1 6 4 3 167.292 0.005 2.62 32
7 6 1 7 4 3 39.421 0.003 7.80 32
7 7 1 7 3 5 141.397 0.012 0.05 32
7 5 2 5 5 0 209.083 0.004 4.72 32
7 5 2 5 3 2 242.017 -0.001 0.89 32
7 6 2 5 4 2 253.238 -0.001 0.10 32
7 6 2 6 6 0 107.497 -0.001 2.12 32
7 5 2 6 5 2 117.872 0.000 6.84 32
7 6 2 6 4 2 148.915 0.001 0.67 32
7 5 2 6 3 4 180.613 0.003 4.58 32
7 6 2 6 2 4 199.420 -0.007 0.02 32
7 5 2 7 3 4 47.878 0.001 5.15 32
7 6 2 7 4 4 65.673 -0.003 0.67 32
7 4 3 5 4 1 209.900 0.002 1.68 32
7 5 3 5 5 1 197.272 0.008 0.10 32
7 4 3 5 2 3 243.892 0.000 1.85 32
7 5 3 5 3 3 248.984 0.008 0.34 32
7 4 3 5 0 5 320.899 0.007 0.03 32
7 4 3 6 6 1 70.655 -0.005 0.76 32
7 5 3 6 5 1 101.484 0.003 6.52 32
7 4 3 6 4 3 127.869 0.000 9.07 32
7 5 3 6 3 3 136.854 0.001 3.14 32
7 4 3 6 2 5 205.630 -0.003 0.62 32
7 5 3 6 1 5 211.777 0.003 0.04 32
7 4 3 7 2 5 71.757 -0.001 7.37 32
7 5 3 7 3 5 77.847 0.001 2.00 32
7 3 4 5 3 2 194.139 -0.002 4.62 32
7 4 4 5 4 2 187.552 -0.011 0.33 32
7 3 4 5 1 4 247.657 -0.005 0.71 32

80

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J Ka KC (cm ) (cm )

7 4 4 S 2 4 248.407 0.003 0.16 32
7 3 4 6 5 2 69.996 0.001 3.68 32
7 4 4 6 4 2 83.239 0.001 1.21 32
7 3 4 6 3 4 132.733 0.000 11.73 32
7 4 4 6 2 4 133.752 0.001 1.75 32
7 3 4 6 1 6 229.930 -0.005 0.10 32
7 4 4 6 0 6 230.738 0.014 0.01 32
7 3 4 7 1 6 95.529 0.001 3.90 32
7 4 4 7 2 6 96.316 4 0.000 2.12 32
7 4 4 8 0 8 79.215 -0.046 0.00 32
7 2 5 5 2 3 172.137 0.003 4.16 32
7 3 5 5 3 3 171.133 0.003 2.07 32
7 2 5 5 0 5 249.135 0.001 0.69 32
7 3 5 5 1 5 249.183 0.005 0.12 32
7 2 5 6 4 3 56.111 0.000 8.31 32
7 3 5 6 3 3 59.007 0.000 6.71 32
7 2 5 6 2 5 133.876 0.001 10.04 32
7 3 5 6 1 5 133.926 -0.002 5.78 32
7 2 5 7 0 7 116.508 0.000 3.73 32
7 3 5 7 1 7 116.512 -0.040 0.00 32
7 1 6 5 3 2 98.593 -0.020 0.02 32
7 1 6 5 1 4 152.133 -0.001 4.87 32
7 1 6 6 3 4 37.206' 0.001 7.75 32
7 2 6 6 2 4 37.437 0.002 0.51 32
7 1 6 6 1 6 134.406 -0.001 4.12 32
7 2 6 6 0 6 134.408 0.000 0.25 32
7 0 7 5 0 5 132.625 -0.001 8.27 32
7 0 7 6 2 5 17.370 0.003 8.41 32
8 8 0 7 6 2 192.589 0.013 0.41 32
8 8 O 8 6 2 61.736 0.010 0.02 32
8 7 1 6 5 1 289.787 -0.012 0.06 32
8 8 1 6 6 1 300.286 -0.004 0.27 32
8 8 1 6 4 3 357.495 -0.004 0.05 32
8 7 1 7 7 1 124.780 0.000 0.58 32
8 8 1 7 6 1 190.206 -0.006 0.24 32
8 6 2 6 4 2 279.762 -0.002 0.06 32
8 7 2 6 5 2 292.579 -0.001 0.89 32
8 6 2 6 2 4 330.291 0.014 0.02 32
8 7 2 6 3 4 355.315 -0.004 0.08 32
8 7 2 7 7 0 123.435 0.000 5.25 32
8 6 2 7 6 2 130.849 -0.001 0.16 32
8 7 2 7 5 2 174.705 -0.003 0.96 32
8 6 2 7 4 4 196.524 -0.002 0.16 32
8 7 2 7 3 4 222.588 0.003 0.25 32
8 6 2 8 4 4 46.631 0.002 2.15 32
8 7 2 8 5 4 69.739 -0.002 1.03 32
8 S 3 6 5 1 243.531 0.010 0.10 32
8 6 3 6 6 1 229.882 -0.002 0.71 32
8 6 3 6 4 3 287.091 —0.002 1.63 32

81

 

OBSERVED

 

UPPER. LOWER OBS-CALC WEIGHT ISO
_1 _1 .

J K.a KC J Ka K.C (cm ) (cm )

8 6 3 6 2 5 364.853 -0.004 0.10 32
8 6 3 7 6 1 119.803 -0.003 6.37 32
8 5 3 7 5 3 142.040 0.000 2.65 32
8 6 3 7 4 3 159.224 0.000 6.63 32
8 5 3 7 3 5 219.885 -0.001 0.03 32
8 6 3 7 2 5 230.981 -0.001 1.07 32
8 5 3 8 3 5 67.710 -0.002 2.03 32
8 6 3 8 4 5 78.574 -0.004 0.82 32
8 4 4 6 4 2 233.130 -0.005 0.17 32
8 5 4 6 5 2 222.844 0.005 0.51 32
8 4 4 6 2 4 283.659 0.011 0.01 32
8 5 4 6 3 4 285.579 0.001 0.46 32
8 4 4 7 6 2 84.223 0.002 1.39 32
8 5 4 7 5 2 104.963 -0.005 0.47 32
8 4 4 7 4 4 149.887 -0.010 2.23 32
8 5 4 7 3 4 152.847 . 0.002 3.04 32
8 4 4 7 2 6 246.210 -0.003 0.03 32
8 5 4 7 1 6 248.373 0.000 0.28 32
8 4 4 8 2 6 93.277 0.001 5.09 32
8 5 4 8 3 6 95.428 0.001 5.83 32
8 3 5 6 3 3 211.177 _ -0.005 0.41 32
8 4 5 6 4 3 208.511 -0.005 1.54 32
8 3 5 6 1 5 286.105 0.003 0.08 32
8 4 5 6 2 5 286.277 -0.003 0.53 32
8 3 5 7 5 3 74.328 0.000 2.12 32
8 4 5 7 4 3 80.646 -0.001 8.18 32
8 3 5 7 3 5 152.174 -0.001 1.35 32
8 4 5 7 2 5 152.403 -0.002 7.34 .32
8 3 5 8 1 7 115.204 0.002 0.48 32
8 4 5 8 2 7 115.387 0.000 2.85 32
8 2 6 6 2 4 190.370 -0.001 0.04 32
8 3 6 6 3 4 190.148 -0.003 1.42 32
8 2 6 6 0 6 287.357 0.013 0.01 32
8 3 6 6 1 6 287.352 0.000 0.27 32
8 2 6 7 4 4 56.619 -0.001 5.15 32
8 3 6 7 3 4 57.418 0.000 6.72 32
8 2 6 7 2 6 152.935 -0.001 2.06 32
8 3 6 7 1 6 152.947 0.001 3.92 32
8 2 6 8 0 8 135.834 -0.048 0.00 32
8 3 6 8 1 8 135.889 -0.001 5.30 32
8 2 7 6 2 5 170.895 0.003 9.89 32
8 2 7 7 2 5 37.019 0.002 7.37 32
8 2 7 7 0 7 153.523 -0.002 6.93 32
8 1 8 6 1 6 151.460 -0.002 6.90 32
8 1 8 7 1 6 17.056 0.000 9.52 32
9 8 1 7 6 1 330.097 -0.006 0.10 32
9 8 1 8 8 1 139.892 0.001 0.48 32
9 8 1 9 6 3 55.469 -0.002 0.15 32
9 7 2 7 3 4 366.395 0.003 0.41 32

 

82

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a K.c (cm ) (cm )

9 7 2 8 7 2 143.808 0.001 0.57 32
9 7 2 8 5 4 213.549 0.001 0.34 32
9 7 2 9 5 4 47.895 0.000 1.35 32
9 6 3 7 6 1 274.627 -0.005 0.10 32
9 7 3 7 7 1 261.795 0.003 0.03 32
9 7 3 8 7 1 137.014 0.002 0.06 32
9 6 3 8 6 3 154.826 0.000 0.48 32
9 7 3 8 5 3 183.286 -0.004 0.05 32
9 6 3 8 4 5 233.404 0.001 0.10 32
9 6 3 9 4 5 63.423 -0.001 5.00 32
9 6 4 7 6 2 256.932 0.009 0.05 32
9 6 4 7 4 4 322.600 0.001 0.10 32
9 5 4 8 7 2 95.912 0.000 0.48 32
9 6 4 8 6 2 126.077 0.004 2.10 32
9 5 4 8 5 4 165.651 -0.002 5.00 32
9 6 4 8 4 4 172.707 0.004 1.34 32
9 5 4 9 3 6 89.885 -0.003 0.48 32
9 6 4 9 4 6 94.737 -0.001 0.12 32
9 4 5 7 4 3 250.625 -0.001 3.92 32
9 5 5 7 5 3 245.095 -0.004 0.10 32
9 4 5 7 2 5 322.383 -0.001 0.67 32
9 5 5 7 3 5 322.943 -0.003 0.03 32
9 4 5 8 6 3 91.402 0.000 1.75 32
9 5 5 8 5 3 103.059 0.000 0.06 32
9 4 5 8 4 5 169.979 0.000 5.24 32
9 5 5 8 3 5 170.771 0.000 0.10 32
9 4 5 9 2 7 113.448 0.001 5.12 32
9 5 5 9 3 7 114.057 0.005 0.10 32
9 3 6 7 3 4 228.609 0.000 1.92 32
9 4 6 7 4 4 227.862 0.001 0.23 32
9 3 6 7 l 6 324.137 -0.001 0.41 32
9 4 6 7 2 6 324.176 -0.001 0.04 32
9 3 6 8 5 4 75.763 -0.002 3.12 32
9 4 6 8 4 4 77.967 0.003 2.23 32
9 3 6 8 3 6 171.193 0.001 2.67 32
9 4 6 8 2 6 171.243 0.002 2.07 32
9 3 6 9 1 8 134.471 -0.004 0.24 32
9 2 7 7 2 5 208.943 0.007 0.85 32
9 2 7 7 0 7 325.440 -0.004 0.38 32
9 2 7 8 4 5 56.530 -0.002 4.47 32
9 3 7 8 3 5 56.739 0.021 0.00 32
9 2 7 8 2 7 171.919 ' 0.000 4.46 32
9 3 7 8 1 7 171.920 ~0.001 0.13 32
9 2 7 9 0 9 155.166 -0.001 0.32 32
9 l 8 7 1 6 189.661 -0.002 11.25 32
9 1 8 8 3 6 36.720 0.003 7.94 32
9 1 8 8 1 8 172.607 0.000 12.17 32
9 2 8 8 0 8 172.603 -0.004 0.08 32
9 0 9 7 0 7 170.272 -0.005 9.38 32

83

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 130
-1 -1

J K3 K.C J Ka K,c (cm ) (cm )

9 0 9 8 2 7 16.751 -0.001 6.56 32
10 8 3 9 8 1 153.353 -0.002 0.48 32
10 8 3 9 6 3 208.822 -0.004 0.08 32
10 7 4 9 7 2 146.042 0.001 1.25 32
10 7 4 9 5 4 193.937 0.001 1.25 32
10 6 4 10 4 6 85.266 -0.002 0.25 32
10 7 4 10 5 6 94.527 0.000 2.00 32
10 6 5 9 6 3 125.817 0.001 2.00 32
10 6 5 9 4 5 189.240 -0.001 2.00 32
10 5 5 10 3 7 110.978 -0.002 0.10 32
10 6 5 10 4 7 112.633 -0.002 2.00 32
10 4 6 9 6 4 94.357 -0.007 0.05 32
10 5 6 9 5 4 99.411 0.002 5.08 32
10 4 6 9 4 6 189.096 -0.006 0.10 32
10 5 6 9 3 6 189.297 0.000 0.71 32
10 5 6 0 3 8 132.934 0.002 2.00 32
10 4 7 8 4 5 246.590 0.005 2.40 32
10 4 7 8 2 7 361.967 -0.005 0.01 32
10 3 7 9 5 5 75.985 -0.005 0.10 32
10 4 7 9 4 5 76.605 -0.001 5.62 32
10 3 7 9 3 7 190.044 0.001 1.67 32
10 4 7 9 2 7 190.052 -0.001 5.66 32
10 3 8 8 3 6 227.560 0.003 1.70 32
10 3 8 8 1 8 363.444 -0.003 0.10 32
10 3 8 9 3 6 56.365 0.000 5.46 32
10 3 8 9 1 8 190.838 -0.002 1.53 32
10 3 8 0 1 10 174.378 -0.003 0.57 32
10 2 9 8 2 7 208.404 0.001 6.90 32
10 1 9 9 3 7 36.483 0.001 0.01 32
10 2 9 9 2 7 36.484 0.000 7.74 32
10 2 9 9 0 9 191.649 -0.002 3.48 32
1O 0 10 8 0 8 189.057 -0.008 0.02 32
10 1 10 8 1 8 189.065 0.000 8.75 32
10 0 10 9 2 8 16.466 0.007 0.01 32
10 1 10 9 1 8 16.458 -0.001 6.06 32
11 8 3 11 6 5 58.467 -0.007 0.10 32
11 7 4 11 5 6 79.820 -0.001 0.25 32
11 6 5 11 4 7 107.435 0.001 0.25 32
11 7 5 11 5 7 111.309 0.006 0.05 32
11 4 7 9 4 5 284.467 0.001 0.08 32
11 4 7 10 6 5 95.226 0.001 2.00 32
11 5 7 10 5 5 96.927 0.000 0.10 32
11 4 7 10 4 7 207.859 -0.001 1.32 32
11 5 7 10 3 7 207.905 -0.002 0.05 32
11 3 8 9 3 6 265.152 -0.007 0.03 32
11 3 8 10 5 6 75.860 -0.002 2.00 32
11 4 8 10 4 6 76.016 -0.002 0.41 32
11 3 8 10 3 8 208.794 0.000 1.34 32
11 2 9 9 2 7 246.182 -0.003 0.38 32

84

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.c J Ka K.C (cm ) (cm )
11 2 9 10 4 7 56.132 0.000 5.40 32
11 2 9 10 2 9 209.696 -0.005 0.69 32
11 2 9 11 0 11 193.526 0.000 0.04 32
11 1 10 9 1 8 227.117 0.003 4.75 32
11 1 10 10 3 8 36.276 0.002 5.91 32
11 1 10 10 1 10 210.656 0.001 1.81 32
11 0 11 9 0 9 207.827 0.001 4.43 32
11 0 11 10 2 9 16.175 0.000 6.02 32
12 5 8 11 5 6 95.785 -0.002 1.25 32
12 5 8 11 3 8 226.461 0.006 0.48 32
12 5 8 12 3 10 170.479 0.006 0.41 32
12 4 9 10 4 7 283.594 0.002 0.21 32
12 4 9 11 4 7 75.732 0.000 1.25 32
12 4 9 11 2 9 227.461 0.001 0.13 32
12 3 10 10 3 8 264.768 -0.008 0.44 32
12 3 10 11 3 8 55.982 0.000 2.09 32
12 3 10 11 1 10 228.491 -0.011 0.31 32
12 2 11 10 2 9 245.793 0.001 2.59 32
12 2 11 11 2 9 36.092 0.001 5.19 32
12 2 11 11 0 11 229.614 -0.003 0.69 32
12 1 12 10 l 10 226.559 0.004 3.87 32
12 1 12 11 1 10 15.899 -0.001 5.28 32
13 3 10 11 3 8 302.022- -0.003 0.10 32
13 3 10 12 3 10 246.049 0.006 0.06 32
13 2 11 11 2 9 283.329 -0.002 0.13 32
13 1 12 11 1 10 264.437 0.002 0.71 32
13 1 12 12 1 12 248.531 -0.004 0.10 32
13 O 13 11 0 11 245.249 -0.001 1.18 32
13 0 13 12 2 11 15.632 -0.001 2.00 32
14 3 12 13 3 10 55.799 -0.004 0.41 32
14 2 13 12 2 11 283.030 -0.007 0.13 32
14 1 14 12 1 12 263.903 -0.005 2.40 32
14 1 14 13 1 12 15.374 0.001 0.48 32
15 1 14 14 3 12 35.691 0.008 0.08 32
15 O 15 13 0 13 282.533 0.008 0.60 32

 

APPENDIX D

ASSIGNED TRANSITIONS OF v2 OF H28e

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J K.a K.C J K.a KC (cm ) (cm )

10 1 10 11 0 11 942.592 -0.016 0.01 74
9 0 9 10 1 10 950.999 -0.002 0.00 74
7 1 6 8 2 7 962.885 -0.008 0.01 74
5 2 3 6 3 4 971.716 -0.012 0.05 74
6 1 6 7 0 7 975.696 -0.010 0.05 74
5 1 4 6 2 5 978.052 -0.004 0.25 74
4 1 4 5 0 5 991.760 -0.008 0.01 74
3 0 3 4 l 4 999.662 -0.006 0.05 74
2 1 2 3 0 3 1007.508 -0.010 0.01 74
3 3 0 3 2 1 1042.886 0.000 0.05 74
5 5 0 5 4 1 1049.603 -0.002 0.01 74
5 4 1 5 3 2 1050.586 -0.012 0.00 74
2 1 2 1 0 1 1054.853 -0.001. 0.01 74
3 0 3 2 1 2 1062.365 -0.003 0.05 74
6 1 6 5 0 5 1085.179 -0.001 0.25 74
3 3 0 2 2 1 1088.514 -0.004 0.01 74
4 3 2 3 2 1 1090.766 -0.009 0.01 74
7 0 7 6 1 6 1092.584 0.000 0.01 74
6 2 5 5 1 4 1096.044 0.006 0.01 74
9 0 9 8 1 8 1107.105 0.004 0.05 74

10 2 9 9 1 8 1127.088 -0.004 0.01 74
9 3 6 8 4 5 1142.170 0.009 0.01 74

15 0 15 14 1 14 1148.291 -0.004 0.01 74

10 4 7 9 3 6 1150.696 0.008 0.01 74
9 9 0 8 8 1 1197.966 0.000 0.25 74
8 5 4 7 2 5 1207.214 -0.004 0.01 74

11 11 0 10 10 1 1236.665 0.003 0.01 74

13 0 13 14 1 14 916.809 -0.010 0.25 76

12 3 10 13 2 11 920.947 0.002 0.25 76

12 1 12 13 0 13 925.427 -0.002 0.25 76

11 2 9 12 3 10 928.404 0.002 0.05 76
6 6 1 7 7 0 930.892 0.002 0.25 76

11 0 11 12 1 12 933.972 0.004 1.25 76

10 3 8 11 2 9 935.787 -0.005 0.05 76
9 3 6 10 4 7 938.442 0.000 0.25 76

10 2 9 11 1 10 939.404 0.001 1.25 76

10 1 10 11 0 11 942.436 0.002 1.25 76
9 2 7 10 3 8 943.117 0.003 0.25 76
5 5 1 6 6 0 943.641 0.003 0.05 76
8 4 5 9 3 6 945.188 0.005 0.05 76
5 5 0 6 6 1 946.432 -0.004 0.05 76
9 1 8 10 2 9 947.252 0.003 1.25 76

85

 

86

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a Kc J Ka K.c (cm ) (cm )

9 O 9 O 1 10 950.827 0.002 1.25 76
7 3 4 8 4 5 951.777 -0.003 0.05 76
8 2 7 9 1 8 955.021 -0.001 1.25 76
4 4 1 5 5 0 956.795 -0.003 0.05 76
7 2 5 8 3 6 957.533 -0.004 0.25 76
6 4 3 7 3 4 958.595 0.003 0.05 76
8 1 8 9 0 9 959.139 0.000 5.00 76
4 4 0 5 5 1 960.701 -0.010 0.05 76
7 1 6 8 2 7 962.721 0.000 1.25 76
5 3 2 6 4 3 963.718 -0.004 0.05 76
6 3 4 7 2 5 964.636 -0.007 0.05 76
7 0 7 8 1 8 967.372 -0.002 1.25 76
6 2 5 7 1 6 970.340 -0.002 0.05 76
5 2 3 6 3 4 971.553 -0.005 0.25 76
6 1 6 7 0 7 975.528 0.001 1.25 76
5 1 4 6 2 5 977.881 0.001 1.25 76
4 3 2 5 2 3 979.009 0.000 0.25 76
5 0 5 6 1 6 983.597 -0.001 0.25 76
2 2 1 3 3 0 984.450 0.000 0.25 76
4 2 3 5 1 4 985.354 -0.003 0.05 76
3 3 1 4 2 2 987.620 0.000 0.05 76
2 2 O 3 3 1 990.860 0.000 0.25 76
4 l 4 5 0 5 991.585 -0.001 1.25 76
7 1 6 7 2 5 993.062 -0.003 0.25 76
5 0 5 5 1 4 998.181 0.003 1.25 76
3 O 3 4 1 4 999.484 0.000 1.25 76
2 2 l 3 1 2 1000.998 0.001 0.25 76
7 2 5 7 3 4 1004.045 -0.001 0.05 76
1 1 O 2 2 1 1006.515 0.001 0.25 76
2 1 2 3 O 3 1007.330 -0.001 0.25 76
5 1 4 5 2 3 1008.725 -0.002 0.25 76
9 4 5 9 5 4 1011.579 0.001 0.25 76
1 0 1 2 1 2 1014.756 -0.001 0.25 76
1 1 1 2 0 2 1015.321 -0.008 0.25 76
4 2 3 4 3 2 1016.085 0.000 1.25 76
8 5 4 8 6 3 1017.280 0.000 0.05 76
5 3 3 5 4 2 1017.977 0.003 0.05 76
5 2 3 5 3 2 1019.361 0.000 1.25 76
6 4 3 6 5 2 1020.093 0.002 0.25 76
2 1 2 2 2 1 1021.942 -0.003 0.25 76
4 3 2 4 4 1 1023.435 0.001 0.25 76
3 1 2 3 2 1 1024.998 0.000 1.25 76
7 4 3 7 5 2 1026.162 -0.001 0.25 76
4 2 2 4 3 1 1027.065 -0.004 0.25 76
5 3 2 5 4 1 1029.282 0.000 1.25 76
3 2 1 3 3 0 1031.064 0.003 1.25 76
6 4 2 6 5 1 1031.483 0.005 0.25 76
5 4 1 5 5 0 1031.896 -0.004 0.05 76
7 5 2 7 6 1 1033.537 0.002 0.25 76

 

87

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a K.c (cm ) (cm )

1 1 O 1 O 1 1039.220 -0.001 1.25 76
2 2 0 2 1 1 1040.568 -0.003 1.25 76
3 3 0 3 2 1 1042.668 -0.002 5.00 76
4 4 0 4 3 1 1045.578 -0.006 1.25 76
2 1 1 2 O 2 1046.934 -0.002 0.05 76
3 2 1 3 1 2 1047.606 -0.003 1.25 76
2 2 1 2 1 2 1048.461 0.002 0.25 76
5 5 0 5 4 1 1049.348 0.001 5.00 76
5 4 1 5 3 2 1050.406 -0.004 0.25 76
4 4 1 4 3 2 1053.171 -0.001 0.25 76
2 1 2 1 0 1 1054.651 -0.001 1.25 76
3 2 2 3 1 3 1056.313 0.006 0.05 76
5 5 .1 5 4 2 1056.453 0.003 0.05 76
4 2 2 4 1 3 1057.284 -0.004 1.25 76
4 3 2 4 2 3 1058.096 0.000 1.25 76
5 3 2 5 2 3 1058.661 -0.004 0.25 76
7 7 O 7 6 1 1059.165 0.002 0.25 76
6 4 2 6 3 3 1060.149 0.000 1.25 76
6 6 1 6 5 2 1060.268 0.001 0.05 76
5 4 2 5 3 3 1060.407 -0.003 0.25 76
3 0' 3 2 1 2 1062.166 -0.001 0.25 76
6 5 2 6 4 3 1063.280 -0.001 1.25 76
2 2 1 1 1 0 1064.076 0.003 5.00 76
9 8 1 9 7 2 1065.689 0.002 0.25 76
5 2 3 5 1 4 1066.502 0.005 0.05 76
5 3 3 5 2 4 1066.627 -0.007 1.25 76
7 6 2 7 5 3 1066.719 -0.008 0.05 76
6 4 3 6 3 4 1068.997 0.001 0.05 76
4 1 4 3 0 3 1069.881 -0.003 1.25 76
3 1 2 2 2 1 1070.644 0.006 0.05 76
7 4 3 7 3 4 1070.841 0.000 1.25 76
3 2 2 2 1 1 1072.283 -0.004 0.25 76
5 1 4 5 0 5 1072.997 0.002 0.25 76
6 3 4 6 2 5 1075.308 0.000 0.05 76
5 0 5 4 1 4 1077.480 0.004 1.25 76
7 3 4 7 2 5 1077.857 -0.013 0.05 76
4 2 3 3 1 2 1079.877 -0.001 1.25 76
6 2 5 6 1 6 1081.246 -0.004 1.25 76
3 3 r 2 2 0 1081.973 0.000 1.25 76
0 8 3 O 7 4 1082.757 0.003 0.25 76
7 2 5 7 1 6 1083.904 0.002 1.25 76
9 6 4 9 5 5 1084.132 -0.005 0.25 76
6 1 6 5 0 5 1084.972 -0.002 5.00 76
4 2 2 3 3 1 1087.008 0.004 0.25 76
5 1 4 4 2 3 1087.817 0.002 0.05 76
3 3 0 2 2 1 1088.310 0.000 1.25 76
7 1 6 7 0 7 1089.394 -0.005 1.25 76
4 3 2 3 2 1 1090.551 0.002 5.00 76
7 0 7 6 1 6 1092.377 0.002 5.00 76

88

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -l

J Ka K.C J Ka K.C (cm ) (cm )

6 2 5 5 1 4 1095.827 -0.002 5.00 76
5 2 3 4 3 2 1097.231 0.006 5.00 76
5 3 3 4 2 2 1098.046 -0.003 0.25 76
8 1 8 7 O 7 1099.680 0.000 5.00 76
9 2 7 9 l 8 1100.770 0.005 0.05 76
7 1 6 6 2 5 1103.731 0.001 5.00 76
10 4 7 10 3 8 1104.331 -0.006 0.25 76
6 3 4 5 2 3 1106.157 0.001 1.25 76
9 O 9 8 1 8 1106.887 0.000 5.00 76
11 4 7 11 3 8 1108.131 0.001 0.05 76
5 4 2 4 3 1 1109.419 0.005 0.05 76
8 2 7 7 1 6 1111.538 -0.001 5.00 76
10 2 9 10 1 10 1113.243 0.008 0.05 76
6 3 3 5 4 2 1114.868 0.002 0.05 76
9 1 8 8 2 7 1119.256 0.003 0.05 76
11 0 11 10 1 10 1121.007 -0.001 5.00 76
4 3 2 3 O 3 1121.572 -0.002 0.05 76
5 5 O 4 4 1 1123.157 0.001 5.00 76
10 2 9 9 1 8 1126.876 0.002 5.00 76
6 5 2 5 4 1 1128.840 -0.001 5.00 76
9 2 7 8 3 6 1130.917 0.001 5.00 76
7 4 3 6 5 2 1132.340 0.000 5.00 76
8 4 5 7 3 4 1133.364 -0.002 0.25 76
11 1 10 10 2 9 1134.399 -0.003 0.05 76
13 0 13 12 1 12 1134.737 0.000 1.25 76
7 5 3 6 4 2 1136.176 0.000 0.05 76
6 6 1 5 5 0 1138.464 0.000 5.00 76
10 3 8 9 2 7 1139.003 -0.001 5.00 76
12 2 11 11 1 10 1141.834 -0.003 1.25 76
9 3 6 8 4 5 1141.942 0.001 1.25 76
8 4 4 7 5 3 1142.931 -0.006 0.25 76
8 5 4 7 4 3 1143.910 0.002 5.00 76
6 5 1 5 4 2 1145.163 0.000 0.25 76
11 2 9 10 3 8 1146.999 0.000 5.00 76
15 0 15 14 1 14 1148.070 0.001 1.25 76
13 1 12 12 2 11 1149.182 0.001 5.00 76
8 5 3 7 6 2 1149.431 0.000 0.05 76
10 4 7 9 3 6 1150.464 -0.001 5.00 76
9 4 5 8 5 4 1152.304 -0.008 1.25 76
9 5 5 8 4 4 1152.517 0.005 0.05 76
16 1 16 15 0 15 1154.582 -0.003 0.25 76
12 3 10 11 2 9 1154.902 0.000 1.25 76
8 6 3 7 5 2 1156.189 0.004 0.05 76
14 2 13 13 1 12 1156.435 0.002 1.25 76
6 6 1 5 3 2 1156.983 0.008 0.05 76
7 7 l 6 6 0 1157.829 0.000 1.25 76
6 5 2 5 2 3 1158.224 0.000 0.25 76
11 3 8 10 4 7 1158.890 0.003 1.25 76
7 7 0 6 6 1 1159.738 -0.001 5.00 76

 

89

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.c J K.a K.C (cm ) (cm )

10 4 6 9 5 5 1161.306 0.003 0.05 76
10 5 6 9 4 5 1161.346 0.004 0.25 76
7 6 1 6 5 2 1162.322 -0.004 0.25 76
13 2 11 12 3 10 1162.714 0.000 5.00 76
15 1 14 14 2 13 1163.596 0.002 0.05 76
6 4 3 5 1 4 1163.935 0.000 0.25 76
9 6 3 8 7 2 1165.947 0.005 0.05 76
12 4 9 11 3 8 1167.212 -0.003 5.00 76
8 7 2 7 6 1 1169.087 -0.001 5.00 76
11 4 7 10 5 6 1170.138 0.003 5.00 76
16 2 15 15 1 14 1170.665 0.002 0.25 76
10 6 5 9 5 4 1171.920 0.002 1.25 76
13 3 10 12. 4 9 1175.450 0.002 1.25 76
8 8 1 7 7 0 1177.306 0.001 5.00 76
8 8 O 7 7 1 1178.583 0.000 1.25 76
12 5 8 11 4 7 1178.854 -0.003 0.25 76
8 7 1 7 6 2 1179.850 -0.001 0.25 76
11 5 6 10 6 5 1180.764 -0.003 1.25 76
7 4 3 6 3 4 1181.243 -0.002 1.25 76_
7 5 3 6 2 4 1182.232 0.000 0.05 76
14 4 11 13 3 10 1183.587 -0.002 0.25 76
10 7 4 9 6 3 1183.621 0.002 0.05 76
16 3 14 15 2 13 1185.609 -0.002 0.25 76
13 4 9 12 5 8 1187.476 0.001 1.25 76
7 3 4 6 2 5 1188.533 -0.002 0.25 76
7 4 4 6 1 5 1188.614 0.006 0.05 76
12 6 7 11 5 6 1189.910 4-0.001 0.25 76
11 6 5 10 7 4 1190.445 -0.001 0.25 76
11 7 5 10 6 4 1191.631 -0.004 0.05 76
17 2 15 16 3 14 1193.062 0.002 0.05 76
7 2 5 6 1 6 1194.815 0.005 0.05 76
9 9 0 8 8 1 1197.689 0.002 0.25 76
9 8 l 8 7 2 1197.823 0.000 5.00 76
10 8 3 9 7 2 1197.910 0.000 1.25 76
8 5 3 7 4 4 1198.795 -0.005 0.05 76
13 5 8 12 6 7 1198.869 0.002 0.25 76
8 8 1 7 5 2 1200.509 0.004 0.25 76
12 7 6 1 6 5 1200.568 0.003 0.25 76
8 6 3 7 3 4 1200.863 0.000 1.25 76
9 7 2 8 6 3 1204.847 -0.001 5.00 76
8 5 4 7 2 5 1206.978 0.004 0.05 76
10 9 2 9 8 1 1210.393 0.000 5.00 76
12 8 5 1 7 4 1211.756 -0.002 0.05 76
8 4 5 7 l 6 1213.221 -0.002 0.25 76
9 6 3 8 5 4 1216.052 0.002 0.05 76
10 10 0 9 9 1 1216.965 —0.002 1.25 76
8 3 6 7 0 7 1219.073 0.003 0.25 76
10 8 2 9 7 3 1221.623 -0.003 0.05 76
9 5 4 8 4 5 1224.970 0.001 1.25 76

90

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.C J K.a KC (cm ) (cm )
12 9 4 11 8 3 1225.840 0.001 0.25 76
11 10 2 10 9 1 1231.101 0.000 0.05 76
9 4 5 8 3 6 1231.717 0.003 0.25 76
10 7 3 9 6 4 1232.912 -0.001 0.05 76
11 10 1 10 9 2 1235.187 0.000 1.25 76
11 11 1 10 10 0 1235.985 0.002 0.25 76
11 11' O 10 10 1 1236.351 0.000 5.00 76
9 3 6 8 2 7 1237.684 -0.001 0.25 76
10 8 3 9 5 4 1239.418 -0.002 0.25 76
12 10 3 11 9 ‘2 1241.181 -0.004 0.25 76
10 7 4 9 4 5 1244.220 0.001 0.25 76
11 8 3 10 7 4 1249.395 -0.001 0.25 76
10 6 5 9 3 6 1250.378 0.000 0.05 76
12 11 2 11 10 1 1251.720 0.000 1.25 76
12 12 1 11 11 0 1255.531 -0.001 0.25 76
10 5 6 . 9 2 7 1256.388 -0.002 0.25 76
11 7 4 10 6 5 1260.743 0.000 0.05 76
10 4 7 9 1 8 1261.990 0.002 0.05 76
13 13 0 12 12 1 1275.209 0.001 0.25 76
11 5 6 10 4 7 1275.106 -0.001 0.05 76
11 4 7 10 3 8 1280.834 0.000 0.05 76
11 3 8 10 2 9 1286.130 0.005 0.05 76
13 0 13 14 1 14 916.742 -0.002 0.25 77
12 3 10 13 2 11 920.866 0.004 0.05 77
12 1 12 13 0 13 925.355 -0.002 0.05 77
11 2 9 12 3 10 928.314 -0.006 0.05 77
6 6 1 7 7 0 930.816 -0.008 0.05 77
11 1 10 12 2 11 931.413 0.004 0.05 77
9 3 6 10 4 7 938.355 -0.012 0.05 77
10 2 9 11 1 10 939.322 -0.001 0.25 77‘
10 1 10 11 0 11 942.361 0.001 0.05 77
9 2 7 10 3 8 943.036 0.001 0.05 77
8 4 5 9 3 6 945.100 -0.008 0.05 77
5 5 O 6 6 1 946.380 -0.001 0.05 77
9 1 8 10 2 9 947.166 -0.003 0.05 77
8 3 6 9 2 7 950.287 0.001 0.05 77
9 0 9 10 1 10 950.750 0.001 0.25 77
7 3 4 8 4 5 951.710 0.004 1.25 77
8 2 7 9 1 8 954.944 0.002 0.25 77
4 4 1 5 5 0 956.718 -0.003 0.05 77
7 2 5 8 3 6 957.454 -0.005 0.05 77
8 1 8 9 O 9 959.061 0.001 1.25 77
7 1 6 8 2 7 962.638 -0.003 0.05 77
7 0 7 8 1 8 967.295 0.002 1.25 77
5 2 3 6 3 4 971.475 -0.005 0.05 77
4 3 2 5 2 3 978.924 0.001 0.25 77
3 2 1 4 3 2 983.742 -0.001 0.05 77
2 2 1 3 3 0 984.366 -0.002 0.05 77
2 2 0 3 3 1 990.789 0.003 0.05

77

 

91

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT I SO
-1 -1

J Ka Kc J K.a K.C (cm ) (cm )

4 1 4 5 0 5 991.500 -0.002 0.25 77
7 1 6 7 2 5 992.983 0.002 0.05 77
8 3 6 8 4 5 996.563 0.000 0.05 77
5 0 5 5 1 4 998.092 -0.001 0.05 77
3 0 3 4 1 4 999.400 0.000 0.25 77
2 2 1 3 1 2 1000.900 -0.008 0.05 77
1 1 0 2 2 1 1006.421 -0.012 0.00 77
2 1 2 3 0 3 1007.252 0.007 0.25 77
5 1 4 5 2 3 1008.631 -0.009 0.05 77
1 0 1 2 1 2 1014.671 -0.001 0.25 77
1 1 1 2 0 2 1015.241 0.000 0.25 77
4 2 3 4 3 2 1016.002 0.003 0.25 77
8 5 4 8 6 3 1017.199 -0.001 0.05 77
5 3 3 5 4 2 1017.883 -0.007 0.05 77
5 2 3 5 3 2 1019.262 -0.003 0.25 77
6 4 3 6 5 2 1020.004 -0.006 0.05 77
2 1 2 2 2 1 1021.860 -0.002 0.05 77
O 0 0 1 1 1 1022.344 -0.001 0.05 77
4 3 2 4 4 1 1023.355 -0.004 0.05 ‘ 77
3 1 2 3 2 1 1024.901 -0.004 0.05 77
7 4 3 7 5 2 1026.060 -0.001 0.05 77
4 2 2 4 3 1 1026.978 0.003 0.25 77
5 3 2 5 4 1 1029.191 0.001 1.25 77
3 2 1 3 3 0 1030.981 0.000 1.25 77
6 4 2 6 5 1 1031.400 0.007 0.25 77
1 1 0 1 O 1 1039.128 -0.001 0.25 77
2 2 0 2 1 1 1040.468 -0.008 0.05 77
3 3 0 3 2 1 1042.568 -0.001 1.25 77
4 4 0 4 3 1 1045.466 -0.008 0.05 77
3 2 1 3 1 2 1047.517 -0.005 0.25 77
5 5 0 5 4 1 1049.223 -0.001 5.00 77
5 4 1 5 3 2 1050.304 -0.016 0.00 77
4 4 l 4 3 2 1053.063 -0.002 1.25 77
2 1 2 1 O 1 1054.558 0.000 0.25 77
4 2 2 4 1 3 1057.195 -0.004 0.25 77
4 3 2 4 2 3 1057.995 -0.004 0.25 77
7 7 0 7 6 1 1059.012 0.002 0.25 77
6 5 2 6 4 3 1063.175 -0.002 0.25 77
2 2 1 1 1 0 1063.977 0.002 0.25 77
4 2 3 4 1 4 1064.540 -0.020 0.00 77
9 8 l 9 7 2 1065.550 0.001 0.25 77
6 4 3 6 3 4 1068.880 -0.019 0.00 77
4 l 4 3 0 3 1069.785 -0.003 0.25 77
7 4 3 7 3 4 1070.754 0.000 1.25 77
3 2 2 2 1 1 1072.185 -0.001 0.25 77
5 1 4 5 0 5 1072.901 0.003 0.25 77
5 O 5 4 1 4 1077.378 0.001 1.25 77
4 2 3 3 1 2 1079.777 -0.001 0.25 77
6 2 5 6 1 6 1081.152 0.001 0.25 77

92

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
1 -1 -1

J K.a Kc J Ka K.c (cm ) (cm )

3 3 1 2 2 0 1081.871 0.003 1.25 77
9 6 4 9 5 5 1084.035 -0.008 0.05 77
6 1 6 5 0 5 1084.874 0.000 1.25 77
8 4 5 8 3 6 1086.752 -0.007 0.05 77
5 1 4 4 2 3 1087.721 0.006 0.05 77
3 3 0 2 2 1 1088.210 -0.002 0.25 77
7 1 6 7 0 7 1089.304 0.005 0.25 77
4 3 2 3 2 1 1090.441 0.001 1.25 77
7 O 7 6 1 6 . 1092.278 0.003 1.25 77
10 6 5 10 5 6 1093.449 -0.007 0.05 77
6 2 5 5 1 4 "1095.727 -0.00l 1.25 77
5 2 3 4 3 2 1097.125 -0.003 0.05 77
8 2 7 8 1 8 1097.347 0.003 0.25 77
5 3 3 4 2 2 1097.950 0.007 0.05 77
8 1 8 7 0 7 1099.580 0.001 5.00 77
4 4 1 3 3 0 1100.308 0.005 0.25 77
9 2 7 9 l 8 1100.657 -0.005 0.25 77
5 3 2 4 4 1 1103.013 -0.003 0.05 77
7 1 6 6 2 5 1103.629 0.001 1.25 77
10 4 7 10 3 8 1104.239 0.006 0.05 77
4 4 0 3 3 1 1105.411 -0.008 0.25 77
6 3 4 5 2 3 1106.048 -0.004 0.25 77
9 0 9 8 1 8 1106.783 -0.003 5.00 77
11 4 7 11 3 8 1108.026 0.002 0.05 77
5 4 2 4 3 1 1109.299 0.004 0.25 77
8 2 7 7 1 6 1111.433 -0.003 1.25 77
10 2 9 10 1 10 1113.129 -0.006 0.05 77
10 1 10 9 0 9 1113.880 -0.016 0.25 77
7 2 5 6 3 4 1114.348 0.001 0.05 77
6 3 3 5 4 2 1114.768 -0.003 0.05 77
9 1 8 8 2 7 1119.151 0.001 0.05 77
11 O 11 10 1 10 1120.910 0.002 5.00 77
8 3 6 7 2 5 1122.634 0.002 0.25 77
5 5 O 4 4 1 1123.049 -0.001 1.25 77
7 3 4 6 4 3 1124.340 0.004 0.05 77
7 4 4 6 3 3 1124.725 . 0.006 0.05 77
12 3 10 12 2 11 1125.119 0.006 0.05 77
10 2 9 9 1 8 1126.772 0.002 1.25 77
12 1 12 11 O 11 1127.821 0.001 1.25 77
6 5 2 5 4 1 1128.712 0.000 5.00 77
9 2 7 8 3 6 1130.811 0.000 5.00 77
7 4 3 6 5 2 1132.253 0.001 1.25 77
8 4 5 7 3 4 1133.257 -0.003 0.25 77
13 0 13 12 1 12 1134.630 -0.001 1.25 77
6 6 1 5 5 0 1138.337 0.001 5.00 77
10 3 8 9 2 7 1138.897 -0.001 5.00 77
6 6 0 5 5 1 1141.125 -0.003 0.05 77
14 1 14 13 0 13 1141.341 0.004 0.05 77
8 4 4 7 5 3 1142.827 -0.008 0.05 77

93

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka KC J K.a KC (cm ) (cm )

8 5 4 7 4 3 1143.794 0.001 1.25 77
6 5 l 5 4 2 1145.076 0.004 0.05 77
11 2 9 10 3 8 1146.893 0.002 1.25 77
15 0 15 14 1 14 1147.964 0.031 0.00 77
7 6 2 6 5 1 1148.629 0.004 0.05 77
13 1 12 12 2 11 1149.072 -0.003 1.25 77
8 5 3 7 6 2 1149.354 -0.001 0.25 77
10 4 7 9 3 6 1150.360 0.002 5.00 77
9 4 5 8 5 4 1152.203 -0.002 5.00 77
6 4 2 5 3 3 1154.582 0.003 0.25 77
12 3 10 11 2 9 1154.793 0.001 5.00 77
8 6 3 7 5 2 1156.050 0.002 0.25 77
14 2 13 13 1 12 1156.323 -0.002 0.25 77
6 6 1 5 3 2 1156.817 -0.001 0.05 77
7 7 1 6 6 0 1157.697 0.002 1.25 77
6 5 2 5 2 3 1158.106 0.004 0.25 77
11 3 8 10 4 7 1158.774 -0.003 1.25 77
7 7 0 6 6 1 1159.619 -0.001 1.25 77
10 5 6 9 4 5 1161.236 0.003 0.05 77
9 5 4 8 6 3 1161.264 -0.003 0.05 77
7 6 1 6 5 2 1162.234 0.001 0.25. 77
13 2 11 12 3 10 1162.602 0.001 1.25 77
6 3 3 5 2 4 1163.418 -0.001 0.25 77
9 6 3 8 7 2 1165.877 -0.004 0.05 77
12 4 9 11 3 8 1167.102 0.000 5.00 77
8 7 2 7 6 1 1168.938 -0.001 5.00 77
14 3 12 13 2 11 1170.318 -0.002 0.25 77
16 2 15 15 1 14 1170.549 0.005 0.05 77
7 5 2 6 4 3 1171.376 -0.002 0.25 77
10 6 5 9 5 4 1171.799 -0.004 0.25 77
13 3 10 12 4 9 1175.334 0.003 0.25 77
9 7 3 8 6 2 1176.640 0.001 0.25 77
8 8 1 7 7 0 1177.167 0.000 ' 5.00 77
15 2 13 14 3 12 1177.950 0.000 0.05 77
8 8 0 7 7 1 1178.455 -0.002 0.05 77
12 5 8 11 4 7 1178.746 0.001 0.25 77
8 7 1 7 6 2 1179.755 0.001 0.25 77
7 4 3 6 3 4 1181.143 0.001 0.25 77
7 5 3 6 2 4 1182.120 0.004 0.05 77
10 7 4 9 6 3 1183.482 0.002 1.25 77
13 4 9 2 5 8 1187.356 -0.001 1.25 77
7 3 4 6 2 5 1188.422 0.001 0.05 77
9 8 2 8 7 1 1189.522 0.000 0.05 77
12 6 7 11 5 6 1189.802 0.003 0.05 77
11 6 5 10 7 4 1190.336 -0.003 0.25 77
17 2 15 16 3 14 1192.946 0.003 0.05 77
9 9 l 8 8 0 1196.706 0.005 0.05 77
9 9 0 8 8 1 1197.556 0.002 0.05 . 77
9 8 1 8 7 2 1197.721 0.004 0.05 77

 

 

94

 

 

UPPER LOWER OBSERVED OBS-GALC WEIGHT ISO
-1 -1

J K3 KC J K.a KC (cm ) (cm )

8 5 3 7 4 4 1198.702 0.000 0.05 77
13 5 8 12 6 7 1198.749 -0.003 0.05 77
8 6 3 7 3 4 1200.744 0.003 1.25 77
11 8 4 10 7 3 1204.256 0.007 0.05 77
9 7 2 8‘ 6 3 1204.770 -0.001 1.25 77
8 5 4 7 2 5 1206.854 -0.003 0.25 77
10 9 2 9 8 1 1210.232 0.000 5.00 77
12 8 5 11 7 4 1211.624 0.004 0.05 77
8 4 5 7 1 6 1213.095 -0.009 0.25 77
9 6 3 8 5 4 1215.961 0.001 1.25 77
10 10 1 9 9 0 1216.264 0.000 5.00 77
10 10 O 9 9 1 1216.826 -0.001 1.25 77
9 7 3 8 4 4 1219.765 0.002 0.05 77
10 8 .2 9 7 3 1221.546 -0.002 0.05 .77
9 5 4 8 4 5 1224.855 0.000 1.25 77
9 6 4 8 3 5 1225.384 -0.004 0.05 77
12 9 4 11 8 3 1225.666 0.003 0.25 77
11 10 2 10 9 1 1230.935 -0.003 0.05 77
9 4 5 8 3 6 1231.595 0.002 0.25 77
10 7 3 9 6 4 1232.830 0.000 0.05 77
11 10 1 10 9 2 1235.062 0.001 1.25 77
11 11 O 10 10 1 1236.206 0.001 1.25 77
9 3 6 8 2 7 1237.566 0.004 0.25 77
11 9 2 10 8 3 1238.554 -0.004 0.25 77
10 8 3 9 5 4 1239.277 -0.001 0.25 77
12 10 3 11 9 2 1240.991 -0.012 0.05 77
10 7 4 9 4 5 1244.096 -0.001 0.05 77
11 8 3 10 7 4 1249.322 0.007 0.05 77
10 6 5 9 3 6 1250.254 -0.002 0.25 77
12 11 2 11 10 1 1251.555 0.000 0.25 77
12 12 1 11 11 0 1255.378 0.001 0.25 77
10 5 6 9 2 7 1256.261 -0.003 0.25 77
11 7 4 10 6 5 1260.641 0.012 0.05 77
10 4 7 9 1 8 1261.863 0.003 0.05 77
13 13 0 12 12 1 1275.051 -0.003 0.05 77
ll 5 6 10 4 7 1274.978 0.002 0.05 77
ll 4 7 10 3 8 1280.707 0.006 0.05 77
16 l 16 17 O 17 890.401 -0.014 0.05 78
9 9 0 10 10 1 895.711 0.006 0.05 78
15 0 15 16 1 16 899.233 -0.001 0.25 78
14 4 11 15 3 12 903.573 0.007 0.05 78
8 8 1 9 9 0 906.562 -0.003 0.05 78
14 1 14 15 0 15 907.988 0.001 1.25 78
13 1 12 14 2 13 915.312 0.000 0.25 78
13 0 13 14 1 14 916.670 -0.001 1.25 78
7 7 0 8 8 1 919.736 -0.001 1.25 78
11 4 7 12 5 8 920.409 -0.008 0.05 78
12 3 10 13 2 11 920.796 -0.004 0.25 78
10 6 5 11 5 6 921.637 0.006 0.05 78

 

95

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
-1 -1

J K.a K.C J K3 KC (cm ) (cm )
12 2 11 13 1 12 923.360 0.001 1.25 78
7 6 1 8 7 2 924.727 0.003 0.25 78
12 1 12 13 O 13 925.283 -0.001 5.00 78
9 5 4 10 6 5 927.004 0.005 0.25 78
11 2 9 12 3 10 928.257 0.002 1.25 78
6 6 1 7 7 0 930.756 0.002 1.25 78
10 4 7 11 ‘3 8 931.487 -0.001 0.05 78
6 6 0 7 7 1 932.705 0.007 0.25 78
9 4 5 10 5 6 933.076 0.007 0.25 78
11 0 11 12 1 12 933.824 0.001 5.00 78
7 5 2 8 6 3 935.105 0.001 0.25 78
10 3 8 11 2 9 935.643 -0.002 1.25 78
9 3 6 10 4 7 938.294 -0.001 1.25 78
10 2’ 9 11 1 10 939.257 0.002 1.25 78
10 1 10 11 0 11 942.289 0.001 5.00 78
9 2 7 10 3 8 942.965 0.000 5.00 78
5 5 1 6 6 0 943.489 -0.002 0.25 78
7 4 3 8 5 4 944.796 0.001 0.05 78
8 4 5 9 3 6 945.029 -0.004 1.25 78
5 5 0 6 6 1 946.325 0.003 5.00 78
9 1 8 10 2 9 947.100 0.002 5.00 78
4 3 2 5 4 1 949.438 -0.004 0.25 78
8 3 6 9 2 7 950.212 -0.001 5.00 78
9 0 9 10 1 10 950.677 0.000 5.00 78
7 3 4 8 4 5 951.628 -0.002 0.25 78
8 2 7 9 1 8 954.868 -0.001 1.25 78
4 4 1 5 5 0 956.642 0.000 5.00 78
7 2 5 8 3 6 957.386 0.003 1.25 78
6 3 3 7 4 4 957.983 0.001 0.25 78
6 4 3 7 3 4 958.437 0.003 5.00 78
8 1 8 9 0 9 958.986 -0.001 5.00 78
4 4 O 5 5 1 960.591 0.005 0.25 78
7 1 6 8 2 7 962.565 0.000 5.00 78
5 3 2 6 4 3 963.585 0.001 1.25 78
6 3 4 7 2 5 964.478 -0.008 0.25 78
5 4 2 6 3 3 965.715 -0.001 0.25 78
7 0 7 8 1 8 967.215 -0.003 5.00 78
4 3 1 5 4 2 968.508 ‘-0.001 0.25 78
6 2 5 7 1 6 970.183 -0.001 0.25 78
8 1 8 8 2 7 972.845 0.003 0.05 78
6 1 6 7 0 7 975.369 0.001 1.25 78
3 3 0 4 4 1 975.422 0.003 0.05 78
2 1 2 3 2 1 976.124 -0.007 0.05 78
9 1 8 9 2 7 977.054 -0.011 0.05 78
5 l 4 6 2 5 977.721 0.002 0.25 78
4 3 2 5 2 3 978.839 -0.001 5.00 78
7 0 7 7 l 6 981.306 0.002 0.25 78
10 3 8 10 4 7 981.617 -0.010 0.05 78
5 0 5 6 1 6 983.435 -0.001 5.00 78

 

96

 

 

OBSERVED OBS-CALC ‘WEIGHT 'ISO
-1 -1

J K.a Kc J Ka KC (cm ) (cm )
3 2 1 4 3 2 983.668 -0.001 0.05 78
2 2 1 3 3 0 984.283 -0.001 5.00 78
4 2 3 5 1 4 985.189 -0.004 0.05 78
1 3 8 1 4 7 986.490 -0.004 0.05 78
3 3 1 4 2 2 987.432 0.004 0.25 78
9 2 7 9 3 6 989.074 -0.003 0.05 78
6 1 6 6 2 5 989.692 -0.001 1.25 78
2 2 0 3 3 1 990.709 -0.002 1.25 78
4 1 4 5 0 5 991.420 -0.001 5.00 78
3 1 2 4 2 3 992.381 -0.001 5.00 78
7 1 6 7 2 5 992.885 -0.013 0.25 78
0 4 7 0 5 6 993.470 -0.002 0.05 78
8 3 6 8 4 5 996.479 0.000 0.25 78
5 O 5 5 1 4 998.010 0.001 5.00 - 78
3 0 3 4 1 4 999.318 0.002 1.25 78
6 2 5 6 3 4 1000.719 -0.001 0.05 78
2 2 1 3 1 2 1000.819 0.002 1.25 78
7 2 5 7 3 4 1003.877 0.003 0.25 78
0. 5 6 0 6 5 1004.658 -0.004 0.05 78
1 1 0 2 2 1 1006.353 0.001 1.25 78
2 1 2 3 0 3 1007.161 0.001 0.25 78
5 1 4 5 2 3 1008.552 -0.001 5.00 78
6 3 4 6 4 3 1011.043 0.003 1.25 78
6 2 4 6 3 3 1011.330 0.002 0.05 78
9 4 5 9 5 4 1011.400 0.002 0.05 78
7 4 4 7 5 3 1013.954 0.007 0.05 78
1 0 1 2 1 2 1014.592 0.005 0.25 78
1 1 1 2 0 2 1015.154 0.001 5.00 78
4 2 3 4 3 2 1015.916 0.001 5.00 78
4 1 3 4 2 2 1016.552 0.001 1.25 78
8 5 4 8 6 3 1017.114 0.003 1.25 78
5 3 3 5 4 2 1017.804 -0.003 0.25 78
8 4 4 8 5 3 1018.449 -0.003 0.05 78
5 2 3 5 3 2 1019.172 0.002 5.00 78
6 4 3 6 5 2 1019.930 0.000 5.00 78
2 1 2 2 2 1 1021.779 0.001 5.00 78
6 3 3 6 4 2 1022.346 -0.001 0.25 78
3 2 2 3 3 1 1022.425 0.008 0.05 78
4 3 2 4 4 1 1023.284 -0.001 5.00 78
O 7 4 0 8 3 1023.953 -0.002 0.25 78
5 4 2 5_ 5 1 1024.414 0.009 0.05 78
3 1 2 3 2 1 1024.813 0.002 1.25 78
7 4 3 7 5 2 1025.953 -0.003 1.25 78
4 2 2 4 3 1 1026.879 ~0.001 5.00 78
7 6 2 7 7 1 1027.547 -0.002 0.05 78
5 3 2 5 4 1 1029.098 0.001 5.00 78
8 7 2 8 8 1 1029.674 -0.004 0.25 78
1 O 1 1 1 0 1030.197 0.000 5.00 78
2 l 1 2 2 0 1030.506 0.002 0.25 78

97

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

-1 -1

J Ka Kc J Ka K.C (cm ) (cm )
3 2 1 3 3 0 1030.902 0.000 5.00 78
5 4 1 5 5 0 1031.777 -0.001 5.00 78
6 5 l 6 6 0 1032.261 0.006 0.25 78
7 6 1 7 7 0 1032.881 0.001 0.25 78
7 5 2 7 6 1 1033.384 0.005 0.25 78
9 6 3 9 7 2 1033.609 -0.002 0.25 78
9 7 2 9 8 1 1036.857 0.000 0.25 78
1 1 0 1 0 1 1039.039 0.002 5.00 78
2 2 0 2 1 1 1040.382 0.002 5.00 78
3 3 0 3 2 1 1042.468 0.000 5.00 78
4 4 0 4 3 1 1045.363 -0.001 5.00 78
2 1 1 2 0 2 1046.762 0.002 0.25 78
3 2 1 3 1 2 1047.433 -0.002 5.00 78
2 2 1 2 1 2 1048.266 -0.001 1.25 78
4 3 1 4 2 2 1048.541 -0.001 1.25 78
5 5 0 5 4 1 1049.101 -0.001 5.00 78
5 4 1 5 3 2 1050.232 0.000 5.00 78
6 5 1 6 4 2 1052.659 0.004 1.25 78
4 4 1 4 3 2 1052.957 -0.001 5.00 78
6 6 0 6 5 1 1053.632 -0.012 0.25 78
2 0 2 1 1 1 1053.953 -0.003 1.25 78
. 2 1 2 1 0 1 1054.463 -0.001 5.00 78
3 1 2 3 0 3 1055.841 0.001 1.25 78
3 2 2 3 1 3 1056.125 0.006 0.05 78
5 5 1 5 4 2 1056.217 -0.003 0.25 78
4 2 2 4 1 3 1057.108 -0.001 5.00 78
4 3 2 4 2 3 1057.903 -0.002 5.00 78
5 3 2 5 2 3 1058.495 0.000 1.25 78
7 7 0 7 6 1 1058.856 -0.002 5.00 78
8 7 1 8 6 2 1060.184 0.006 0.05 78
5 4 2 5 3 3 1060.215 0.001 0.05 78
3 0 3 2 1 2 1061.982 0.002 0.25 78
3 1 3 2 0 2 1062.034 0.003 0.05 78
6 5 2 6 4 3 1063.076 -0.001 5.00 78
2 2 l 1 1 0 1063.875 -0.001 5.00 78
4 2 3 4 1 4 1064.462 -0.004 0.05 78
9 8 1 9 7 2 1065.413 0.000 1.25 78
5 2 3 5 1 4 1066.308 -0.002 0.05 78
5 3 3 5 2 4 1066.449 0.005 0.05 78
6 4 3 6 3 4 1068.805 0.000 0.05 78
4 l 4 3 O 3 1069.691 —0.002 1.25 78
3 1 2 2 2 1 1070.459 0.000 0.05 78
2 2 0 1 1 1 1071.275 0.005 0.25 78
7 5 3 7 4 4 1071.562 -0.004 0.05 78
3 2 2 2 1 1 1072.086 -0.001 1.25 78
5 1 4 5 O 5 1072.796 -0.008 1.25 78
11 9 2 11 8 3 1074.272 0.001 0.05 78
8 6 3 8 5 4 1074.753 -0.001 1.25 78
6 3 4 6 2 5 1075.109 -0.008 0.05 78

98

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ha KC J Ka KC (cm ) (cm )
9 6 3 9 5 4 1075.175 0.002 0.05 78
5 0 5 4 1 4 1077.282 0.000 5.00 78
7 3 4 7 2 5 1077.679 -0.001 0.05 78
7 4 4 7 3 5 1077.757 0.007 0.25 78
10 10 1 10 9 2 1078.698 0.006 0.05 78
4 2 3 3 1 2 1079.681 0.000 1.25 78
8 5 4 8 4 5 1080.693 0.000 1.25 78
6 2 5 6 1 6 1081.057 0.000 5.00 78
3 3 1 2 2 0 1081.763 0.001 5.00 78
10 8 3 10 7 4 1082.533 -0.002 1.25 78
7 2 5 7 1 6 1083.711 0.002 1.25 78
6 1 6 5 0 5 1084.777 -0.001 5.00 78
8 4 5 8 3 6 1086.666 0.002 1.25 78
5 1 4 4 2 3 1087.620 0.002 0.25 78
3 3 0 2 2 1 1088.117 0.002 1.25 78
7 1 6 7 0 7 1089.209 0.005 5.00 78
9 4 5 9 3 6 1089.852 0.005 0.05 78
4 3 2 3 2 1 1090.334 0.000 5.00 78
11 8 4 11 7 5 1091.438 0.007 0.25 .78
7 0 7 6 1 6 1092.181 0.003 5.00 78
10 6 5 10 5 6 1093.356 -0.003 0.05 78
3 2 1 2 1 2 1094.886 0.002 0.25 78
6 2 5 5 1 4 1095.629 -0.001 5.00 78
5 2 3 4 3 2 1097.038 0.006 1.25 78
5 3 3 4 2 2 1097.835 —0.005 1.25 78
10 5 6 10 4 7 1098.980 0.003 0.25 78
8 1 8 7 0 7 1099.481 0.000 5.00 78
4 4 1 3 3 0 1100.193 0.002 5.00 f 78
9 2 7 9 1 8 1100.566 -0.001 1.25 78
5 3 2 4 4 1 1102.941 0.001 1.25 78
7 1 6 6 2 5 1103.529 0.000 5.00 78
10 4 7 10 3 8 1104.137 -0.001 1.25 78
9 1 8 9 0 9 1105.194 0.000 0.05 78
4 4 0 3 3 1 1105.318 -0.001 1.25 78
6 3 4 5 2 3 1105.951 0.000 1.25 78
9 0 9 8 1 8 1106.686 0.000 5.00 78
11 4 7 11 3 8 1107.929 0.000 0.25 78
10 3 8 10 2 9 1108.828 0.002 0.25 78
5 4 2 4 3 1 1109.184 0.002 1.25 78
8 2 7 7 1 6 1111.335 -0.001 5.00 78
12 6 7 12 5 8 1111.913 -0.001 0.05 78
11 3 8 11 2 9 1112.683 -0.004 0.25 78
10 2 9 10 1 10 1113.036 -0.002 1.25 78
10 1 10 9 0 9 1113.796 0.001 5.00 78
7 2 5 6 3 4 1114.248 0.003 0.25 78
6 3 3 5 4 2 1114.676 -0.001 5.00 78
6 4 3 5 3 2 1116.573 -0.002 5.00 78
11 2 9 1 1 10 1116.973 «0.002 0.25 78
9 1 8 8 2 7 1119.048 0.000 0.25 78

99

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a Kc J K.a KC (cm ) (cm )

11 0 11 10 1 10 1120.802 -0.003 5.00 78
4 3 2 3 0 3 1121.366 0.003 0.05 78
8 3 6 7 2 5 1122.533 0.004 1.25 78
5 5 0 4 4 1 1122.945 0.000 5.00 78
7 3 4 6 4 3 1124.231 -0.003 5.00 78
7 4 4 6 3 3 .1124.618 0.004 1.25 78

12 3 10 12 2 11 1125.014 -0.001 0.25 78

13 4 9 13 3 10 1125.420 0.000 0.05 78

10 2 9 9 1 8 1126.668 0.000 5.00 78

12 1 12 11 0 11 1127.717 0.001 5.00 78
5 4 1 4 3 2 1128.096 0.003 1.25 78
6 5 2 5 4 1 1128.589 -0.001 5.00 78
9 2 7 8 3 6 1130.706 -0.001 5.00 78
7 4 3 6 5 2 1132.163 0.000 5.00 78
8 4 5 7 3 4 1133.155 0.000 0.25 78

11 1 10 10 2 9 1134.192 -0.001 1.25 78

13 0 13 12 1 12 1134.528 0.000 1.25 78
7 5 3 6 4 2 1135.934 0.003 1.25 78

13 1 12 13 0 13 1135.979 0.004 0.05 78
5 5 1 4 2 2 1136.251 -0.002 0.05 78
5 3 2 4 2 3 1137.561 0.001 1.25 78
6 6 1 5 5 0 1138.209 -0.001 5.00 78

10 3 8 9 2 7 1138.792 -0.001 5.00 78
5 4 2 4 1 3 1139.410 -0.001 0.25 78

14 1 14 13 0 13 1141.238 -0.003 1.25 78

12 2 11 11 1 10 1141.626 0.000 1.25 ’78
9 3 6 8 4 5 1141.730 0.003 1.25 78
8 4 4 7 5 3 1142.731 0.000 1.25 78
8 5 4 7 4 3 1143.681 0.000 5.00 78
6 5 1 5 4 2 1144.984 0.000 5.00 78

11 2 9 10 3 8 1146.784 -0.001 5.00 78

15 0 15 14 1 14 1147.855 -0.001 5.00 78
7 6 2 6 5 1 1148.494 0.000 5.00 78

13 1 12 12 2 11 1148.968 0.002 5.00 78
8 5 3 7 6 2 1149.275 -0.001 1.25 78

10 4 7 9 3 6 1150.249 -0.001 5.00 78
9 4 5 8 5 4 1152.090 -0.006 1.25 78

16 1 16 15 0 15 1154.373 0.001 5.00 78

12 3 10 11 2 9 1154.684 -0.001 5.00 78
8 6 3 7 5 2 1155.916 0.001 5.00 78

14 2 13 13 1 12 1156.215 0.000 1.25 78
6 6 1 5 3 2 1156.663 -0.001 5.00 78
7 7 1 6 6 0 1157.562 -0.001 1.25 78
6 5 2 5 2 3 1157.988 0.000 5.00 78

11 3 8 10 4 7 1158.669 0.000 5.00 78
7 7 O 6 6 1 1159.503 0.000 5.00 78

17 0 17 16 1 16 1160.789 -0.001 1.25 78

10 4 6 9 5 5 1161.085 0.001 0.05 78

10 5 6 9 4 5 1161.122 0.000 1.25 78

 

100

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.c J K.a K.C (cm ) (cm )

9 5 4 8 6 3 1161.164 0.000 1.25 78
7 6 1 6 5 2 1162.145 0.000 5.00 78
13 2 11 12 3 10 1162.494 0.000 5.00 78
9 6 4 8 5 3 1163.227 -0.003 1.25 78
6 3 3 5 2 4 1163.313 -0.001 0.25 78
15 1 14 14 2 13 1163.375 0.003 1.25 78
6 4 3 5 1 4 1163.714 -0.001 1.25 78
9 6 3 8 7 2 1165.818 -0.001 5.00 78
12 4 9 11 3 8 1166.993 0.000 5.00 78
8 7 2 7 6 1 1168.799 0.000 5.00 78
11 4 7 10 5 6 1169.914 0.001 5.00 78
14 3 12 13 2 11 1170.213 0.002 0.25 78
16 2 15 15 1 14 1170.437 -0.001 5.00 78
10 5 5 9 6 4 1171.185 0.004 1.25 78
7 5 2 6 4 3 1171.290 0.000 1.25 78
10 6 5 9 5 4 1171.688 0.000 5.00 78
13 3 10 12 4 9 1175.223 0.000 5.00 78
8 8 1 7 7 0 1177.030 0.000 5.00 78
15 2 13 14 3 12 1177.841 0.002 0.05 78
8 8 0 7 7 1 1178.334 0.001 5.00 78
12 5 8 11 4 7 1178.631 —0.001 1.25 78
8 7 1 7 6 2 1179.663 0.000 1.25 78
11 5 6 10 6 5 1180.542 0.001 5.00 78
11 6 6 10 5 5 1180.654 -0.001 1.25 78
7 4 3 6 3 4 1181.036 -0.002 5.00 78
7 5 3 6 2 4 1182.007 0.002 1.25 78
10 7 4 9 6 3 1183.349 0.002 5.00 78
18 2 17 17 l 16 1184.309 0.005 0.05 ‘78
16 3 14 15 2 13 1185.381 0.003 0.25 78
13 4 9 12 5 8 1187.245 -0.001 1.25 78
8 6 2 7 5 3 1188.002 0.000 1.25 78
7 3 4 6 2 5 1188.310 -0.001 1.25 78
7 4 4 6 1 5 1188.383 0.000 0.25 78
9 8 2 8 7 1 1189.375 0.001 1.25 78
12 6 7 11 5 6 1189.678 -0.004 1.25 78
11 6 5 10 7 4 1190.228 0.002 5.00 78
11 7 5 10 6 4 1191.396 0.005 0.05 78
17 2 15 16 3 14 1192.833 0.004 0.25 78
7 2 5 6 1 6 1194.580 -0.002 0.25 78
14 5 10 13 4 9 1195.761 0.000 0.25 78
9 9 1 8 8 0 1196.562 0.002 5.00 78
8 7 2 7 4 3 1197.093 -0.001 5.00 78
10 8 3 9 7 2 1197.585 0.001 0.05 78
9 8 1 8 7 2 1197.619 -0.001 1.25 78
8 5 3 7 4 4 1198.609 0.005 0.05 78
13 5 8 12 6 7 1198.637 0.002 1.25 78
16 4 13 15 3 12 1199.353 ~0.001 0.25 78
12 6 6 11 7 5 1200.034 0.003 0.05 78
12 7 6 11 6 5 1200.330 0.001 5.00 78

101

 

 

- 10

OBSERVED OBS-CALC WEIGHT ISO
. -1 ._1

J K.a Kc J Ka KC (cm ) (cm )

8 6 3 7 3 4 1200.626 0.000 5.00 78
11 8 4 10 7 3 1204.099 -0.001 0.25 78
15 4 1 14 5 0 1204.176 -0.002 0.25 78

9 7 2 8 6 3 1204.693 0.000 5.00 78

8 5 4 7 2 5 1206.746 0.002 5.00 78
17 3 4 16 4 3 1207.214 0.000 0.25 78
14 6 9 13 5 8 1207.500 -0.002 0.25 78
12 7 5 11 8 4 1209.065 0.000 0.25 78
13 6 7 12 7 6 1209.429 0.000 1.25 78
10 9 2 9 8 1 1210.076 -0.001 5.00 78
12 8 5 11 7 4 1211.488 -0.004 1.25 78
16 5 2 15 4 1 1212.497 0.000 0.25 78

8 4 5 7 1 6 1212.987 -0.003 1.25 78

9 1 9 8 2 1216.052 -0.004 0.25 78
10 10 l 9 9 0 1216.120 0.000 5.00 78
10 10 0 9 9 1 1216.690 0.000 5.00 78

9 8 2 8 5 3 1217.856 0.000 0.25 78

8 3 6 7 0 7 1218.836 0.001 1.25 78
11 9 3 10 8 2 1219.073 -0.002 1.25 78
13 7 6 12 8 5 1219.462 0.003 0.25 78

9 7 3 8 4 4 1219.640 0.000 0.25 78
10 8 2 9 7 3 1221.471 0.001 1.25 78

9 5 4 8 4 5 1224.746 -0.001 5.00 78
16 6 1 15 5 0 1224.911 0.000 0.05 78

9 6 4 8 3 5 1225.272 0.000 0.25 78
12 9 4 11 8 3 1225.494 -0.002 1.25 78
15 6 9 14 7 8 1227.719 0.002 0.25 78
14 8 7 '13 7 6 1229.362 -0.007 0.05 78
11 10 2 10 9 1 1230.780 0.001 5.00 78

9 4 5 8 3 6 1231.478 0.001 1.25 78

9 5 5 8 2 6 1231.519 0.000 0.05 78
10 7 3 9 6 4 1232.753 -0.001 0.25 78
17 5 2 16 6 1 1233.453 -0.004 0.05 78
11 10 1 10 9 2 1234.944 0.000 5.00 78
11 11 1 10 10 0 1235.683 0.000 1.25 78
11 11 0 10 10 1 1236.062 -0.001 5.00 78

9 3 6 8 2 7 1237.446 0.001 1.25 78
11 9 2 10 8 3 1238.473 0.001 1.25 78
10 8 3 9 5 4 1239.147 0.002 1.25 78
10 9 2 9 6 3 1239.580 0.002 0.25 78
12 10 3 11 9 2 1240.807 0.000 1.25 78
10 6 4 9 5 5 1242.809 0.001 0.05 78

9 2 7 8 1 8 1242.947 0.000 0.25 78
10 7 4 9 4 5 1243.976 0.000 1.25 78
11 8 3 10 7 4 1249.252 -0.001 1.25 78
10 5 5 9 4 6 1250.019 0.003 0.25 78
10 6 5 9 3 6 1250.136 -0.001 1.25 78
12 11 2 11 10 1 1251.396 0.000 1.25 78
12 11 1 11 10 2 1254.208 0.000 0.25 78

 

102

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

-1 -1

J K.a K.C J Ka KC (cm ) (cm )
12 12 1 11 11 0 1255.225 0.001 0.25 78
12 12 O 11 11 1 1255.482 0.001 0.25 78
12 10 2 11 9 3 1255.846 -0.001 0.05 78
10 5 6 9 2 7 1256.142 -0.002 1.25 78
11 9 3 10 6 4 1259.269 -0.003 0.05 78
11 7 4 10 6 5 1260.542 -0.001 1.25 78
10 4 7 9 1 8 1261.739 -0.001 1.25 78
10 3 8 9 0 9 1266.924 0.003 0.25 78
11 6 5 10 5 6 1268.507 0.000 1.25 78
14 11 4 13 10 3 1269.889 -0.002 0.05 78
13 11 2 12 10 3 1273.708 0.004 0.25 78
13 12 1 12 11 2 1273.748 0.000 0.05 78
13 13 1 12 12 0 1274.720 -0.001 0.05 78
11 5 6 10 4 7 1274.858 0.002 0.05 78
13 13 0 12 12 1 1274.896 -0.003 0.05 78
12 8 4 11 7 5 1277.773 0.003 0.05 78
12 10 3 11 7 4 1280.174 -0.003 0.05 78
11 4 7 10 3 8 1280.579 0.000 1.25 78
12 9 4 11 6 5 1282.101 -0.002 0.25 78
11 3 8 10 2 9 1285.868 0.000 0.25 78
12 8 5 11 5 6 1287.548 -0.001 0.25 78
14 13 2 13 12 1 1292.257 -0.002 0.05 78
12 7 6 11 4 7 1293.627 0.001 0.25 78
14 14 1 13 13 0 1294.158 0.006 0.05 78
.12 6 7 11 3 8 1299.424 -0.001 0.25 78
12 5 8 11 2 9 1304.826 0.002 0.05 78
12 4 9 11 1 10 1309.833 0.000 0.05 78
13 6 7 12 5 8 1318.214 0.000 0.05 78
13 5 8 12 4 9 1323.749 0.002 0.05 78
13 4 9 12 3 10 1328.883 0.006 0.05 78
13 3 10 12 2 11 1333.635 0.002 0.05 _ 78
16 1 16 17 0 17 890.288 0.002 0.25 80
9 9 0 10 10 1 895.613 0.000 0.25 80
15 1 14 16 2 15 898.913 0.006 0.05 80
15 0 15 16 1 16 899.109 0.002 1.25 80
8 7 2 9 8 1 902.516 0.003 0.25 80
14 4 11 15 3 12 903.431 0.000 0.05 80
14 3 12 15 2 13 905.575 0.003 0.05 80
8 8 1 9 9 0 906.450 -0.001 0.25 80
14 2 13 15 1 14 907.068 -0.006 0.25 80
8 8 0 9 9 1 907.314 -0.010 0.05 80
14 1 14 15 0 15 907.859 0.000 5.00 80
13 3 10 14 4 11 910.512 0.005 0.05 80
13 2 11 14 3 12 913.151 0.003 0.25 80
13 1 12 14 2 13 915.182 0.001 1.25 80
11 5 6 12 6 7 915.548 -0.003 0.05 80
10 7 4 11 6 5 916.216 0.002 0.05 80
13 O 13 14 1 14 916.537 -0.003 5.00 80
12 4 9 13 3 10 917.525 0.005 0.25 80

103

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 - 1

J K.a KC J Ka KC (cm ) (cm )

7 7 1 8 8 0 918.319 0.002 1.25 80
7 7 O 8 8 1 919.639 0.000 1.25 80
11 4 7 12 5 8 920.281 -0.001 0.25 80
12 3 10 13 2 11 920.664 0.000 1.25 80
10 6 5 11 5 6 921.496 0.002 0.05 80
12 2 11 13 1 12 923.224 0.000 5.00 80
11 3 8 12 4 9 924.464 -0.004 1.25 80
7 6 1 8 7 2 924.643 0.002 0.05 ' 80
6 5 2 7 6 1 924.988 0.005 0.05 80
12 1 12 13 0 13 925.150 0.001 5.00 80
5 3 2 6 6 1 926.266 0.001 0.05 80
10 5 6 11 4 7 926.661 -0.003 1.25 80
9 5 4 10 6 5 926.869 -0.001 0.05 80
11 2 9 12 3 10 928.118 0.002 5.00 80
6 6 1 7 7 0 930.623 0.001 5.00 80
11 1 10 12 2 11 931.201 -0.002 5.00 80
10 4 7 11 3 8 931.345 -0.002 0.05 80
8 7 2 9 6 3 931.960 0.004 0.25 80
6 6 0 7 7 1 932.600 0.005 1.25 80
9 4 5 10 5 6 932.930 0.001 0.25 80
11 0 11 12 1 12 933.685 0.001 5.00 80
8 6 3 9 5 4 933.895 0.000 0.25 80
7 5 2 8 6 3 935.011 0.000 0.25 80
10 3 8 11 2 9 935.503 0.000 5.00 80
5 4 2 6 5 1 936.855 0.003 0.05 80
4 2 3 5 3 2 937.896 0.003 0.05 80
9 3 6 10 4 7 938.151 -0.001 5.00 80
6 5 1 7 6 2 938.867 0.001 0.05 80
10 2 9 11 1 10 939.113 0.000 5.00 80
10 1 10 11 0 11 942.146 0.000 5.00 80
9 2 7 10 3 8 942.822 0.001 5.00 80
5 5 1 6 6 0 943.348 -0.002 1.25 80
7 4 3 8 5 4 944.666 0.002 1.25 80
8 4 5 9 3 6 944.885 -0.004 1.25 80
7 5 3 8 4 4 945.747 -0.001 0.25 80
5 5 0 6 6 1 946.215 0.002 5.00 80
9 1 8 10 2 9 946.955 0.001 5.00 80
6 4 2 7 5 3 949.213 0.005 0.05 80
4 3 2 5 4 1 949.269 0.002 0.05 80
8 3 6 9 2 7 950.067 0.000 5.00 80
9 0 9 10 1 10 950.532 0.001 5.00 80
7 3 4 8 4 5 951.484 -0.001 5.00 80
7 4 4 8 3 5 951.568 0.005 0.05 80
6 5 2 7 4 3 953.284 0.002 1.25 80
5 4 1 6 5 2 953.472 -0.004 0.05 80
8 2 7 9 1 8 954.722 0.000 5.00 80
4 4 1 5 5 0 956.494 0.001 5.00 80
7 2 5 8 3 6 957.235 0.001 5.00 80
6 3 3 7 4 4 957.837 -0.003 0.25 80

104

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a Kc (cm ) (cm ) L
6 4 3 7 3, 4 958.283 0.001 5.00 80
8 1 8 9 0 9 958.839 0.001 5.00 80
4 4 O 5 5 1 960.469 0.001 1.25 80
7 1 6 8 2 7 962.415 0.000 5.00 80
5 3 2 6 4 3 963.453 0.001 5.00 80
5 5 1 6 4 2 963.655 -0.006 0.25 80
6 3 4 7 2 5 964.328 -0.008 0.25 80
5 4 2 6 3 3 965.547 -0.003 1.25 80
7 0 7 8 1 8 967.065 -0.002 5.00 80
4 3 1 5 4 2 968.379 -0.004 1.25 80
10 2 9 10 3 8 968.916 0.004 0.25 80
6 2 5 7 1 6 970.031 -0.001 0.25 80
5 2 3 6 3 4 971.249 -0.001 5.00 80
5 3 3 6 2 4 971.399 0.000 0.05 1 80
8 1 8 8 2 7 972.692 0.003 0.25 80
4 4 1 5 3 2 974.892 -0.002 1.25 80
6 1 6 7 0 7 975.214 -0.001 1.25 80
3 3 0 4 4 1 975.285 -0.004 0.05 80
2 1 2 3 2 1 .975.966 0.001“ 0.25 80
9 1 8 9 2 7 976.911 0.001 0.25 80
5 1 4 6 2 5 977.564 -0.001 5.00 80
4 2 2 5 3 3 977.766 -0.001 0.05 80
4 3 2 5 2 3 978.678 -0.001 5.00 80
7 0 7 7 1 6 981.150 0.001 1.25 80
10 3 8 10 4 7 981.468 -0.001 0.25 80
5 O 5 6 1 6 983.279 -0.001 5.00 80
3 2 1 4 3 2 983.523 -0.006 0.25 80
2 2 1 3 3 0 984.125 -0.001 5.00 80
8 2 7 8 3 6 984.851 -0.001 0.25 80
4 2 3 5 1 4 985.030 -0.007 0.05 80
11 3 8 11 4 7 986.334 -0.001 0.05 80
3 3 1 4 2 2 987.246 0.001 1.25 80
9 2 7 9 3 6 988.918 0.001 1.25 80
6 1 6 6 2 5 989.537 0.002 5.00 80
2 2 0 3 3 1 990.568 0.000 5.00 80
4 1 4 5 0 5 991.261 -0.001 5.00 80
3 1 2 4 2 3 992.226 “0.001 5.00 80
3 2 2 4 1 3 992.536 0.005 0.25 80
7 1 6 7 2 5 992.736 -0.002 0.25 80
10 4 7 10 5 6 993.308 -0.002 0.25 80
8 3 6 8 4 5 996.320 0.003 1.25 80
5 0 5 5 1 4 997.849 0.000 5.00 80
1 1 1 2 2 0 998.738 0.002 1.25 80
2 1 1 3 2 2 998.884 0.002 1.25 80
3 0 3 4 l 4 999.156 0.000 1.25 80
6 2 5 6 3 4 1000.565 0.007 0.05 80
2 2 1 3 1 2 1000.647 0.001 1.25 80
7 2 5 7 3 4 1003.708 0.000 0.25 80
10 5 6 10 6 5 1004.495 -0.001 0.25 80

 

105

 

OBSERVED

 

UPPER LOWER OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J Ka KC (cm ) (cm )

O 4 6 O 5 5 1004.564 -0.007 0.05 80
4 1 4 4 2 3 1006.072 0.000 0.25 80
1 1 0 2 2 1 1006.201 0.003 1.25 80
2 O 2 3 1 3 1006.952 0.015 0.05 80
2 1 2 3 O 3 1006.997 0.000 1.25 80
5 2 4 5 3 3 1008.291 0.003 0.05 80
5 1 4 5 2 3 1008.389 0.002 5.00 80
1 5 6 1 6 5 1009.210 0.001 0.05 80
6 3 4 6 4 3 1010.876 0.001 5.00 80
6 2 4 6 3 3 1011.158 0.001 0.05 80
9 4 5 9 5 4 1011.216 ‘-0.005 0.05 80
7 4 4 7 5 3 1013.784 0.001 1.25 80
3 1 3 3 2 2 1014.143 0.001 0.25 80
1 O 1 2 1 2 1014.428 0.003 1.25 80
1 1 1 2 O 2 1014.986 0.001 1.25 80
4 2 3 4 3 2 1015.754 0.001 5.00 .80
4 1 3 4 2 2 1016.379 0.001 5.00 80
8 5 4 8 6: 3 1016.949 0.001 1.25 80
5 3 3 5 4 2 1017.650 0.002 1.25 80
8 4 4 8 5 3 1018.264 0.003 0.25 80
5 2 3 5 3 2 1018.989 0.001 5.00 80
6 4 3 6 5 2 1019.776 0.001 5.00 80
9 6 4 9 7 3 1020.307 -0.001 0.05 80
1 6 5 1 7 4 1020.514 -0.004 0.05 80
2 1 2 2 2 1 1021.621 0.002 5.00 80
0 0 0 1 1 1 1022.097 0.003 0.25 80
6 3 3 6 4 2 1022.154 -0.002 0.05 80
3 2 2 3 3 1 1022.263 -0.003 0.25 80
9 5 4 9 6 3 1022.622 -0.001 0.25 80
2 0 2 2 1 1 1022.898 0.005 1.25 80
4 3 2 4 4 1 1023.144 0.000 5.00 80
0 7 4 0 8 3 1023.801 -0.001 0.25 80
5 4 2 5 5 1 1024.273 -0.002 1.25 80
8 6 3 8 7 2 1024.572 0.009 0.05 80
3 1 2 3 2 1 1024.635 0.001 1.25 80
6 5 2 6 6 1 1025.702 0.007 0.25 80
7 4 3 7 5 2 1025.758 0.001 1.25 80
4 2 2 4 3 1 1026.702 0.001 5.00 80
9 7 3 9 8 2 1027.180 0.002 0.05 80
7 6. 2 7 7 1 1027.448 -0.001 0.25 80
5 3 2 5 4 1 1028.922 0.001 5.00 80
8 7 2 8 8 1 1029.594 0.000 0.25 80
1 O 1 1 1 0 1030.031 0.001 5.00 80
2 1 1 2 2 0 1030.346 0.003 0.25 80
3 2 1 3 3 0 1030.750 -0.001 5.00 80
6 4 2 6 5 1 1031.142 0.005 0.05 80
4 3 1 4 4 0 1031.199 -0.001 0.05 80
5 4 1 5 5 0 1031.661 0.000 5.00 80
6 5 1 6 6 0 1032.164 0.002 1.25 80

106

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a K.c (cm ) (cm )

7 6 1 7 7 0 1032.812 0.001 0.25 80
7 5 2 7 6 1 1033.228 0.000 1.25 80
8 7 1 8 8 0 1033.795 0.010 0.05 80
8 6 2 8 7 1 1035.111 0.000 1.25 80
9 7 2 9 8 1 1036.753 -0.001 5.00 80
10 7 3 10 8 2 1037.022 0.003 0.25 80
10 9 1 10 10 0 1037.464 0.003 0.05 80
10 8 2 10 9 1 1038.196 0.002 0.25 80
1 1 0 1 O 1 1038.863 0.000 5.00 80
11 9 2 11 10 1 1039.559 -0.003 0.25 80
2 2 0 2 1 1 1040.201 0.002 5.00 80
3 3 0 3 2 1 1042.274 -0.001 5.00 80
4 4 O 4 3 1 1045.153 -0.001 5.00 80
1 1 1 O O 0 1046.437 -0.002 5.00 80
2 1 1 2 0 2 1046.595 0.004 0.05 80
3 2 1 3 1 2 1047.268 -0.002 5.00 80
2 2 1 2 1 2 1048.083 0.000 5.00 80
4 3 1 4 2 2 1048.374 -0.003 1.25 80
5 5 O 5 4 1 1048.868 -0.001 5.00 80
5 4 1 5 3 2 1050.063 0.001 0.25 80
6 5 1 6 4 2 1052.473 0.001 5.00 80
4 4 1 4 3 2 1052.753 -0.001 1.25 80
6 6 0 6 5 1 1053.382 -0.001 1.25 80'
2 0 2 1 1 1 1053.782 -0.001 5.00 80
2 1 2 1 0 1 1054.283 -0.001 5.00 80
3 1 2 3 O 3 1055.669 0.003 1.25 80
7 6 1 7 5 2 1055.735 -0.001 1.25 80
3 2 2 3 1 3 1055.937 -0.003 1.25 80
5 5 1 5 4 2 1056.000 -0.002 0.05 80
4 2 2 4 1 3 1056.938 -0.002 5.00 80
4 3 2 4 2 3 1057.722 -0.001 5.00 80
5 3 2 5 2 3 1058.331 -0.002 5.00 80
7 7 0 7 6 1 1058.565 -0.002 0.25 80
6 6 1 6 5 2 1059.784 0.002 1.25 80
6 4 2 6 3 3 1059.830 -0.005 0.05 80
5 4 2 5 3 3 1060.018 -0.009 0.05 80
7 5 2 7 4 3 1061.525 -0.001 1.25 80
3 0 3 2 1 2 1061.804 0.003 0.25 80
6 5 2 6 4 3 1062.880 -0.002 5.00 80
8 6 2 8 5 3 1063.576 0.002 0.05 80
2 2 1 1 1 0 1063.687 -0.002 5.00 80
4 2 3 4 1 4 1064.277 -0.009 0.05 80
9 8 1 9 7 2 1065.149 0.001 5.00 80
5 2 3 5 1 4 1066.131 -0.001 0.25 80
9 7 2 9 6 3 1066.197 0.000 0.05 80
6 3 3 6 2 4 1068.246 -0.001 1.25 80
6 4 3 6 3 4 1068.614 -0.009 0.05 80
4 1 4 3 0 3 1069.507 -0.004 1.25 80
9 9 0 9 8 1 1070.096 0.005 0.05 80

 

 

107

 

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO

-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
3 1 2 2 2 1 1070.290 0.002 1.25 ' 80
7 4 3 7 3 4 1070.495 -0.004 0.05 80
2 2 0 1 1 1 1071.090 0.001 1.25 80
7 5 3 7 4 4 1071.377 —0.004 0.25 80
3 2 2 2 1 1 1071.898 0.002 5.00 80
5 1 4 5 0 5 1072.622 0.001 5.00 80
9 9 1 9 8 2 1073.420 -0.002 0.25 80
11 9 2 11 8 3 1074.048 -0.002 1.25 80
8 6 3 8 5 4 1074.564 -0.001 5.00 80
6 3 4 6 2 5 1074.928 -0.006 0.05 80
9 6 3 9 5 4 1075.030 0.001 0.25 80
5 0 5 4 1 4 1077.095 -0.003 5.00 80
7 4 4 7 3 5 1077.563 -0.004 0.25 80
9 7 3, 9 6 4 1078.206 0.001 1.25 80
4 1 3 3 2 2 1079.235 0.002 1.25 80
4 2 3 3 1 2 1079.493 0.000 1.25 80
8 4 4 8 3 5 1080.318 0.002 1.25 80
8 5 4 8 4 5 1080.506 -0.004 1.25 80
6 2 5 6 1 6 1080.873 0.002 5.00 80
3 3 1 2 2 0 1081.561 0.000 5.00 80
10 8 3 10 7 4 1082.329 -0.002 1.25 80
9 5 4 9 4 5 1083.288 0.003 1.25 80
7 2 5 7 1 6 1083.525 0.002 1.25 80
6 1 6 5 0 5 1084.589 -0.002 5.00 80
8 4 5 8 3 6 1086.475 -0.003 1.25 80
5 1 4 4 2 3 1087.433 0.002 0.25 80
_ 3 3 O 2 2 1 1087.930 0.000 1.25 80
7 1 6 7 0 7 1089.017 0.001 5.00 80
9 4 5 9 3 6 1089.665 0.003 0.05 80
4 3 2 3 2 1 1090.129 -0.001 5.00 80
11 8 4 11 7 5 1091.242 -0.001 0.00 80
7 0 7 6 1 6 1091.990 0.001 5.00 80
10 5 5 10 4 6 1093.061 -0.002 0.25 80
10 6 5 10 5 6 1093.172 -0.002 0.25 80
3 2 1 2 1 2 1094.710 ' 0.002 1.25 80
6 2 5 5 1 4 1095.438 -0.002 1.25 80
11 6 5 11 5 6 1096.603 0.002 0.05 80
5 2 3 4 3 2 1096.848 0.000 5.00 80
5 3 3 4 2 2 1097.643 0.001 5.00 80
10 5 6 10 4 7 1098.786 -0.003 5.00 80
8 1 8 7 0 7 1099.289 0.000 5.00 80
4 4 1 3 3 0 1099.975 0.000 5.00 80
9 2 7 9 1 8 1100.383 0.007 0.05 80
11 5 6 11 4 7 1102.499 0.005 0.25 80
5 3 2 4 4 1 1102.799 0.001 1.25 80
7 1 6 6 2 5 1103.336 0.000 5.00 80
10 4 7 10 3 8 1103.946 -0.001 1.25 80
9 1 8 9 0 9 1105.002 0.002 0.25 80
4 4 0 3 3 1 1105.130 0.003 1.25 80

 

108

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K3 KC J K.a K.c (cm ) (cm )

6 2 4 5 3 3 1105.636 0.002 0.25 80
6 3 4 5 2 3 1105.759 0.003 1.25 80
9 O 9 8 1 8 1106.492 -0.001 5.00 80
11 4 7 11 3 8 1107.737 0.000 1.25 80
10 3 8 10. 2 9 1108.634 0.000 1.25 80
5 4 2 4 3 1 1108.962 0.001 1.25 80
13 7 6 13 6 7 1110.351 0.003 0.25 80
8 2 7 7' 1 6 1111.140 -0.001 5.00 80
4 3 1 3 2 2 1111.229 -0.003 0.05 80
12 6 7 12 5 8 1111.719 -0.004 0.25 80
11 3 8 11 2 9 1112.496 0.003 1.25 80
10 2 9 10 1 10 1112.843 0.001 0.25 80
10 1 10 9 O 9 1113.601 0.002 5.00 80
7 2 5 6 3 4 1114.052 0.002 0.25 80
13 6 7 13 5 8 1115.853 0.003 1.25 80
6 4 3 5 3 2 1116.362 0.001 5.00 80
4 4 1 3 1 2 1116.502 0.008 0.05 80
11 2 9 11 1 10 1116.787 0.006 0.25 80
9 1 8 8 2 7 1118.851 0.000 0.05 80
11 O 11 10 1 10 1120.606 -0.002 5.00 80
4 3 2 3 0 3 1121.164 0.002 0.25 80
8 3 6 7 2 5 1122.330 -0.001 5.00 80
5 5 0 4 4 1 1122.743 -0.002 1.25 80
7 3 4 6 4 3 1124.038 0.000 5.00 80
7 4 4 6 3 3 1124.415 0.006 0.25 80
12 3 10 12 2 11 1124.820 0.001 0.25 80
13 4 9 13 3 10 1125.223 0.001 0.05 80
10 2 9 9 1 8 1126.468 0.000 5.00 80
12 1 12 11 O 11 1127.518 0.000 5.00 80
5 4 1 4 3 2 1127.922 0.000 1.25 80
6 5 2 5 4 1 1128.350 -0.001 5.00 80
13 3 10 13 2 11 1129.218 -0.002 0.25 80
9 2 7 8 3 6 1130.505 -0.001 5.00 80
7 4 3 6 5 2 1131.992 -0.001 5.00 80
8 4 5 7 3 4 1132.950 -0.002 0.25 80
11 1 10 10 2 9 1133.992 0.001 1.25 80
13 0 13 12 1 12 1134.326 -0.003 1.25 80
7 5 3 6 4 2 1135.698 0.001 1.25 80
13 1 12 13 0 13 1135.770 -0.004 0.05 80
5 3 2 4 2 3 1137.378 0.001 5.00 80
6 6 1 5 5 0 1137.965 -0.002 5.00 80
10 3 8 9 2 7 1138.588 -0.002 5.00 80
5 4 2 4 1 3 1139.205 0.005 1.25 80
6 6 0 5 5 1 1140.808 0.002 5.00 80
14 1 14 13 O 13 1141.030 -0.011 0.05 80
12 2 11 11 1 10 1141.425 0.003 1.25 80
9 3 6 8 4 5 1141.524 0.001 1.25 80
8 4 4 7 5 3 1142.535 0.000 1.25 80
8 5 4 7 4 3 1143.462 -0.002 5.00 80

109

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J K.a KC (cm ) (cm )

6 5 1 5 4 2 1144.813 0.000 5.00 80
5 2 3 4 1 4 1145.381 -0.001 1.25 80
11 2 9 10 3 8 1146.579 0.000 5.00 80
15 0 15 14 1 14 1147.653 0.000 5.00 80
15 2 13 15 1 14 1148.292 -0.002 0.05 80
7 6 2 6 5 1 1148.236 0.000 5.00 80
13 1 12 12 2 11 1148.761 0.000 5.00 80
8 5 3 7 6 2 1149.126 0.001 1.25 80
10 4 7 9 3 6 1150.042 -0.001 5.00 80
15 1 14 15 0 15 1150.578 0.002 0.05 80
11 7 5 10 8 2 1150.912 0.001 0.05 80
9 4 5 8 5 4 1151.890 0.000 5.00 80
8 6 3 8 3 6 1153.930 0.004 0.05 80
16 1 16 15 0 15 1154.166 0.000 5.00 80
6 4 2 5 3 3 1154.312 0.001 0.05 80
12 3 10 11 2 9 1154.478 0.001 5.00 80
8 6 3 7 5 2 1155.658 0.000 5.00 80
14 2 13 13 1 12 1156.011 0.003 1.25 80
6 6 1 5 3 2 1156.369 0.001 1.25 80
7 7 1 6 ‘6 0 1157.310 0.000 5.00 80
6 5 2 5 2 3 1157.763 0.000 1.25 80
11 3 8 10 4 7 1158.460 0.001 5.00 80
7 7 0 6 6 1 1159.278 0.000 5.00 80
17 O 17 16 1 16 1160.579 0.000 1.25 80
10 4 6 9 5 5 1160.876 0.002 0.05 80
10 5 6 9 4 5 1160.910 -0.001 1.25 80
9 5 4 8 6 3 1160.972 0.000 1.25 80
7 6 1 6 5 2 1161.972 0.001 5.00 80
13 2 11 12 3 10 1162.283 0.000 1.25 80
9 6 4 8 5 3 1162.990 -0.003 1.25 80
6 3 3 5 2 4 1163.116 0.004 0.05 80
15 1 14 14 2 13 1163.166 0.001 5.00 80
6 4 3 5 1 4 1163.504 -0.001 1.25 80
9 7 2 8 8 1 1163.835 0.000 0.25 80
9 6 3 8 7 2 1165.697 0.000 5.00 80
12 4 9 11 3 8 1166.780 -0.001 5.00 80
18 1 18 17 O 17 1166.894 0.002 0.25 80
8 7 2 7 6 1 1168.522 0.000 5.00 80
11 4 7 10 5 6 1169.702 0.002 5.00 80
14 3 12 13 2 11 1169.998 -0.001 1.25 80
16 2 15 15 1 14 1170.230 -0.001 0.25 80
10 5 5 9 6 4 1170.972 -0.001 5.00 80
7 5 2 6 4 3 1171.126 0.000 1.25 80
10 6 5 9 5 4 1171.465 0.000 5.00 80
19 O 19 18 1 18 1173.104 -0.001 0.25 80
13 3 10 12 4 9 1175.008 0.000 5.00 80
9 7 3 8 6 2 1176.209 0.001 1.25 80
8 8 1 7 7 0 1176.767 -0.001 5.00 80
7 6 2 6 3 3 1176.934 0.000 1.25 80

110

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a KC J K.a K.c (cm ) (cm )
17 1 16 16 2 15 1177.206 -0.002 0.05 80
15 2 13 14 3 12 1177.624 -0.002 1.25 80
8 8 0 7 7 1 1178.095 0.000 5.00 80
12 5 8 11 4 7 1178.416 0.000 1.25 80
10 6‘ 4 9 7 3 1179.151 0.001 1.25 80
8 7 1 7 6 2 1179.483 0.001 1.25 80
11 5, 6 10 6 5 1180.326 0.000 5.00 80
11 6 6 10 5 5 1180.436 0.001 5.00 80
7 4 3 6 3 4 1180.841 0.001 1.25 80
7 5 3 6 2 4 1181.790 0.001 1.25 80
10 7 4 9 6 3 1183.086 0.002 5.00 80
14 4 11 13 3 10 1183.141 -0.001 1.25 80
18 2 17 17 1 16 1184.095 -0.001 0.25 80
16 3 14 '15 2 13 1185.163 -0.002 1.25 80
13 4 9 12 5 8 1187.027 0.000 5.00 80
8 6 2 7 5 3 1187.849 0.001 1.25 80
7 3 4 6 2 5 1188.096 -0.001 1.25 80
7 4 4 6 1 5 1188.166 -0.001 1.25 80
9 8 2 8 7 1 1189.082 -0.001 5.00 80
12 6 7 11 5 6 1189.461 0.000 5.00 80
11 6 5 10 7 4 1190.018 -0.001 5.00 80
19 1 18 18 2 17 1190.894 -0.002 0.25 80
11 7 5 10 6 4 1191.151 0.000 0.05 80
15 3 12 14 4 11 1191.183 -0.001 0.05 80
17 2 15 16 3 14 1192.613 -0.003 0.05 80
7 2 5 6 1 6 1194.367 0.004 0.25 80
14 5 10 13 4 9 1195.540 0.000 1.25 80
9 9 1 8 8 0 1196.290 0.001 5.00 80
7 7 0 6 4 3 1196.470 0.005 0.05 80
8 7 2 7 4 3 1196.823 0.002 1.25 80
9 9 0 8 8 1 1197.171 -0.001 5.00 80
10 8 3 9 7 2 1197.274 0.000 1.25 80
9 8 1 8 7 2 1197.425 -0.002 1.25 80
13 5 8 12 6 7 1198.416 0.003 1.25 80
16 4 13 15 3 12 1199.134 0.000 1.25 80
8 8 1 7 5 2 1199.693 0.001 5.00 80
12 6 6 11 7 5 1199.813 0.002 1.25 80
18 3 16 17 2 15 1199.982 0.001 0.25 80
12 7 6 11 6 5 1200.097 -0.001 5.00 80
8 6 3 7 3 4 1200.400 0.000 5.00 80
11 8 4 10 7 3 1203.806 0.002 1.25 80
15 4 11 14 5 10 1203.956 0.001 1.25‘ 80
9 7 2 8 6 3 1204.546 0.000 5.00 80
8 4 4 7 3 5 1206.318 -0.001 0.05 80
8 5 4 7 2 5 1206.524 0.000 5.00 80
17 3 14 16 4 13 1206.995 0.001 0.05 80
14 6 9 13 5 8 1207.272 -0.005 1.25 80
12 7 5 11 8 4 1208.863 -0.001 1.25 80
13 6 7 12 7 6 1209.204 0.000 5.00 80

 

 

 

111

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka KC (cm ) (cm )

13 7 7 12 6 6 1209.275 0.001 0.25 80
10 9 2 9 8 1 1209.775 0.000 5.00 80
12 8 5 11 7 4 1211.229 0.002 5.00 80
16 5 12 15 4 11 ‘ 1212.272 0.000 1.25 80
8 4 5 7 1 6 1212.763 -0.004 5.00 80
12 8 4 11 9 3 1213.747 0.004 0.05 80
18 4 15 17 3 14 1214.769 0.006 0.05 80
9 6 3 8 5 4 1215.699 0.000 5.00 80
10 10 1 9 9 0 1215.842 0.001 5.00 80
10 10 0 9 9 1 1216.421 -0.005 1.25 80
9 8 2 8 5 3 1217.544 -0.001 1.25 80
14 7 8 13 6 7 1218.423 -0.004 0.25 80
8 3 6 7 0 7 1218.609 0.001 1.25 80
11 9 3 10 8 2 1218.742 0.001 1.25 80
13 7 6 12 8 5 1219.237 -0.001 1.25 80
9 7 3 8 4 4 1219.402 0.001 5.00 80
13 8 6 ' 12 7 5 1219.919 -0.001 0.25 80
17 4 13 16 5 12 1220.493 0.002 0.25 80
10 8 2 9 7 3 1221.326 0.000 5.00 80
9 9 ’1 8 6 2 1222.452 0.000 0.25 80
9 5 4 8 4 5 1224.535 0.001 5.00 80
16 6 11 15 5 10 1224.685 0.004 0.25 80
9 6 4 8 3 5 1225.048 0.000 1.25 80
12 9 4 11 8 3 1225.163 -0.001 5.00 80
13 11 2 12 12 1 1225.329 0.004 0.05 80
13 8 5 12 9 4 1227.290 0.005 0.25 80
15 6 9 14 7 8 1227.482 -0.003 1.25 80
14 8 7 13 7 6 1229.127 0.000 0.25 80
13 9 4 12 10 3 1229.710 0.005 0.25 80
11 10 2 10 9 1 1230.472 0.000 5.00 80
9 4 5 8 3 6 1231.253 0.001 1.25 80
9 5 5 8 2 6 1231.292 -0.001 0.05 80
13 9 5 12 8 4 1231.818 0.002 0.25 80
10 7 3 9 6 4 1232.599 -0.002 1.25 80
17 5 12 16 6 11 1233.229 0.004 0.25 80
11 10 1 10 9 2 1234.715 -0.001 5.00 80
11 11 1 10 10 0 1235.397 0.000 5.00 80
11 11 0 10 10 1 1235.788 0.000 5.00 80
16 7 10 15 6 9 1236.439 -0.003 0.25 80
9 3 6 8 2 7 1237.214 0.000 5.00 80
11 9 2 10 8 3 1238.322 -0.001 1.25 80
10 8 3 9 5 4 1238.884 -0.001 5.00 80
10 9 2 9 6 3 1239.218 0.000 1.25 80
14 9 6 13 8 5 1239.961 -0.003 0.25 80
12 10 3 11 9 2 1240.453 0.000 5.00 80
10 6 4 9 5 5 1242.602 -0.001 1.25 80
9 2 7 8 1 8 1242.713 0.000 1.25 80
10 7 4 9 4 5 1243.748 0.002 5.00 80
13 10 4 12 9 3 1247.104 0.001 0.25 80

 

 

 

112

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

11 8 3 10 7 4 1249.120 -0.001 1.25 80
10 5 5 9 4 6 1249.790 0.001 1.25 80
10 6 5 9 3 6 1249.906 0.000 5.00 80
12 11 2 11 10 1 1251.086 0.001 5.00 80
12 11 1 11 10 2 1253.959 -0.002 1.25 80
12 12 1 11 11 0 1254.931 -0.001 5.00 80
12 12 0 11 11 1 1255.199 0.001 0.05 80
12 10 2 11 9 3 1255.682 -0.001 1.25 80
10 5 6 9 2 7 1255.909 -0.001 1.25 80
11 9 3 10 6 4 1258.983 0.002 0.25 80
11 7 4 10 6 5 1260.352 -0.002 1.25 80
1O 4 7 9 1 8 1261.502 0.000 1.25 80
11 8 4 10 5 5 1262.655 0.000 0.05 80
10 3 8 9 0 9 1266.680 0.000 1.25 80
11 6 5 10 5 6 1268.282 0.001 1.25 80
11 7 5 10 4 6 1268.581 -0.001 0.25 80
14 11 4 13 10 3 1269.488 0.002 0.25 80
13 12 2 12 11 1 1271.578 0.001 0.25 80
13 12 1 12 11 2 1273.484 0.000 0.25 80
13 11 2 12 10 3 1273.516 0.000 0.05 80
13 13 1 12 12 0 1274.422 -0.002 0.05 80
13 13 0 12 12 1 1274.611 0.002 1.25 80
12 8 4 11 7 5 1277.600 -0.004 0.25 80
12 10 3 11 7 4 1279.841 -0.004 0.25 80
11 4 7 10 3 8 1280.338 0.001 5.00 80
13 10 3 12 9 4 1281.430 0.000 0.25 80
12 9 4 11 6 5 1281.847 -0.002 1.25 80
14 12 3 13 11 2 1283.835 0.002 0.25 80
11 3 8 10 2 9 1285.624 0.000 1.25 80
12 7 5 11 6 6 1286.617 0.003 0.25 80
12 8 5 11 5 6 1287.310 '0.000 1.25 80
11 2 9 10 1 10 1290.511 0.002 0.05 80
14 13 2 13 12 1 1291.940 -0.001 0.25 80
12 6 6 11 5 7 1293.311 0.003 0.25 80
12 7 6 11 4 7 1293.385 0.001_ 1.25 80
14 14 1 13 13 0 1293.852 -0.003 0.25 80
12 6 7 11 3 8 1299.179 0.001 1.25 80
12 5 8 11 2 9 1304.576 0.002 0.25 80
12 4 9 11 1 10 1309.581 0.000 0.25 80
12 3 10 11 0 11 1314.201 0.001 0.25 80
13 6 7 12 5 8 1317.967 0.006 0.25 80
13 5 8 12 4 9 1323.494 0.004 0.25 80
13 4 9 12 3 10 1328.620 0.001 0.25 80
13 3 10 12 2 11 1333.376 0.001 0.25 80
12 2 11 13 1 12 923.089 -0.016 0.05 82
6 6 1 7 7 0 930.499 0.000 0.25 82
11 1 10 12 2 11 931.071 -0.002 0.25 82
11 0 11 12 1 12 933.556 -0.001 1.25 82
10 3 11 2 9 935.367 0.002 0.25 82

‘ oo

 

 

 

113

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka KC J Ka K.C (cm ) (cm )

9 3 6 10 4 7 938.022 0.006 0.25 82
10 2 9 11 1 10 938.978 -0.001 0.25 82
10 1 10 11 0 11 942.013 0.004 1.25 82

9 2 7 10 3 8 942.683 -0.002 0.25 82

7 4 3 8 5 4 944.542 -0.001 0.25 82

5 5 0 6 6 1 946.115 0.005 0.25 82

9 1 8 10 2 9 946.822 0.004 1.25 82

8 3 6 9 2 7 949.932 0.002 0.25 82

9 0 9 10 1 10 ‘ 950.388 -0.003 5.00 82

7 3 4 8 4 5 951.355 0.006 0.05 82

6 5 2 7 4 3 953.112 -0.003 0.05 82

8 2 7 9 1 8 954.583 -0.002 1.25 82

4 4 1 5 5 0 956.357 0.004 0.05 82

7 2 5 8 3 6 957.102 0.005 0.25 82

6 4 3 7 3 4 958.140 0.000 1.25 82

8 1 8 9 0 9 958.701 0.003 5.00 ‘ 82

4 4 O 5 5 1 960.361 0.004 0.05 82

7 1 6 8 2 7 962.278 0.001 5.00 82

5 -3 2 6 4 3 963.326 -0.002 1.25 82

6 3 4 7 2 5 964.183 -0.013 0.05 82

7 O 7 8 1 8 966.926 0.000 5.00 82

4 3 1 5 4 2 968.268 0.002 0.05 82

6 2 5 7 1 6 969.888 -0.003 0.05 82

5 2 3 6 3 4 971.111 0.001 0.25 82

4 4 1 5 3 2 974.697 -0.007 0.05 82

6 1 6 7 0 7 975.073 0.001 0.25 82

5 1 4 6 2 5 977.421 -0.001 1.25 82

4 3 2 5 2 3 978.527 -0.001 0.25 82

7 O 7 7 1 6 981.011 0.005 0.05 82

5 O 5 6 1 6 983.135 -0.001 1.25 82

2 2 1 3 3 0 983.976 -0.002 1.25 82

3 3 1 4 2 2 987.071 -0.002 0.05 82

6 1 6 6 2 5 989.391 0.002 0.25 82

2 2 0 3 3 1 990.433 -0.002 0.25 82

4 1 4 5 O 5 991.115 -0.001 5.00 82

3 1 2 4 2 3 992.085 0.004 1.25 82

8 3 6 8 4 5 996.173 0.007 0.05 82

5 0 5 5 1 4 997.692 -0.008 0.25 82

3 0 3 4 1 4 999.010 0.004 0.25 82

2 2 1 3 1 2 1000.487 0.003 0.05 82

7 3 5 7 4 4 1003.514 0.008 0.05 82

7 2 5 7 3 4 1003.551 -0.002 0.05 82

4 1 4 4 2 3 1005.925 0.004 0.05 82

2 1 2 3 0 3 1006.848 0.003 0.25 82

5 1 4 5 2 3 1008.239 0.007 0.00 82

6 3 4 6 4 3 1010.726 0.005 0.05 82

7 4 4 7 5 3 1013.629 0.001 0.05 82

1 0 1 2 1 2 1014.278 0.005 0.25 82

4 2 3 4 3 2 1015.604 0.003 1.25 82

 

114

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.C J K.a K.C (cm ) (cm )

8 5 4 8 6 3 1016.789 -0.007 0.05 82
4 1 3 4 2 2 1016.221 0.005 0.25 82
5 3 3 5 4 2 1017.497 -0.002 0.05 82
5 2 3 5 3 2 1018.819 0.001 1.25 82
6 4 3 6 5 2 1019.629 -0.001 0.25 82
2 1 2 2 2 1 1021.475 0.004 0.25 82
4 3 2 4 4 1 1023.020 0.009 0.05 82
3 1 2 3 2 1 1024.468 0.001 0.25 82
7 4 3 7 5 2 1025.575 0.006 0.05 82
4 2 2 4 3 1 1026.536 0.004 0.25 82
5 3 2 5 4 1 1028.757 0.002 1.25 82
1 0 1 1 1 0 1029.877 0.003 1.25 82
3 2 1 3 3 0 1030.606 -0.003 1.25 82
5 4 1 5 5 0 1031.555 0.003 0.25 82
7 5 2 7 6 1 1033.076 -0.008 0.25 82
8 6 2 8 7 1 1034.995 0.004 0.05 82
1 1 0 1 0 1 1038.699 0.000 1.25 82
2 2 O 2 1 1 1040.022 -0.007 0.25 82
3 3 O 3 2 1 1042.094 0.000 5.00 82
4 4 O 4 3 1 1044.956 0.000 1.25 82
1 1 1 0 0 0 1046.277 0.004 0.25 82
3 2 1 3 1 2 1047.114 -0.001 1.25 82
2 2 1 2 1 2 1047.910 -0.001 1.25 82
5 5 0 5 4 1 1048.643 -0.005 1.25 82
5 4 1 5 3 2 1049.905 0.003 0.05 82
6 5 1 6 4 2 1052.303 0.002 0.25 82
4 4 1 4 3 2 1052.560 -0.001 1.25 82
2 1 2 1 O 1 1054.117 0.001 1.25 82
3 1 2 3 0 3 1055.510 0.008 0.05 82
7 6 1 7 5 2 1055.547 0.001 0.05 82
4 2 2 4 1 3 1056.779 -0.001 0.25 82
4 3 2 4 2 3 1057.551 -0.001 1.25 82
5 3 2 5 2 3 1058.180 0.000 1.25 82
6 6 1 6 5 2 1059.560 0.002 1.25 82
7 5 2 7 4 3 1061.387 0.001 1.25 82
3 O 3 2 1 2 1061.641 0.008 0.05 82
6 5 2 6 4 3 1062.694 -0.004 1.25 82
2 2 1 1 1 0 1063.510 -0.002 1.25 82
5 2 3 5 1 4 1065.963 -0.002 0.25 82
6 3 3 6 2 4 1068.070 -0.013 0.05 82
4 1 4 3 0 3 1069.338 -0.004 1.25 82
2 2 0 1 1 1 1070.928 0.009 0.05 82
7 5 3 7 4 4 1071.205 -0.002 0.05 82
3 2 2 2 1 1 1071.721 0.003 0.25 82
5 1 4 5 0 5 1072.448 -0.003 1.25 82
8 6 3 8 5 4 1074.387 0.001 0.25 82
5 0 5 4 1 4 1076.925 -0.001 5.00 82
4 1 3 3 2 2 1079.058 -0.004 0.25 82
4 2 3 3 1 2 1079.317 -0.001 1.25 82

115

 

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a K.c J K.a KC (cm ) (cm )

3 3 1 2 2 0 1081.373 0.001 1.25 82
9 5 4 9 4 5 1083.124 0.003 0.25 82
7 2 5 7 1 6 1083.346 -0.003 0.25 82
6 1 6 5 0 5 1084.417 -0.001 5.00 82
8 4 5 8 3 6 1086.298 -0.005 1.25 82
5 1 4 4 2 3 1087.259 0.003 0.05 82
7 1 6 7 0 7 1088.840 0.000 1.25 82
9 4 5 9 3 6 1089.489 0.002 0.05 82
4 3 2 3 2 1 1089.937 -0.001 0.25 82
7 0 7 6 1 6 .1091.816 0.002 5.00 82
10 6 5 10 5 6 1092.998 0.003 0.05 82
3 2 1 2 1 2 1094.539 -0.003 0.05 82
9 3 6 9 2 7 1095.086 -0.008 0.25 82
6 2 5 5 1 4 1095.265 0.003 1.25 82
5 2 3 4 3 2 1096.675 0.000 1.25 82
5 3 3 4 2 2 1097.445 -0.010 0.05 82
10 5 6 10 4 7 1098.604 -0.003 0.05 82
8 1 8 7 0 7 1099.112 -0.001 5.00 82
4 4 1 3 3 0 1099.770 -0.002 1.25 82
5 3 2 4 4 1 1102.673 0.010 0.05 82
7 1 6 6 2 5 1103.156 -0.001 1.25 82
9 1 8 9 0 9 1104.822 0.006 0.05 82
6 3 4 5 2 3 1105.580 0.007 0.05 82
9 0 9 8 1 8 1106.314 0.000 5.00 82
11 4 7 11 3 8 1107.546 -0.002 0.25 82
10 3 8 10 2 9 1108.454 0.004 0.25 82
5 4 2 4 3 1 1108.755 0.002 0.05 82
8 2 7 7 1 6 1110.958 -0.001 5.00 82.
11 3 8 11 2 9 1112.307 0.001 0.05 82
10 1 0 9 0 9 1113.419 0.001 5.00 82
6 4 3 5 3 2 1116.161 0.002 5.00 82
9 1 8 8 2 7 1118.668 0.001 0.05 82
11 0 1 10 1 0 1120.423 -0.001 5.00 82
8 3 6 7 2 5 1122.144 0.000 5.00 82
7 3 4 6 4 3 1123.853 0.000 5.00 82
10 2 9 9 1 8 1126.283 0.001 5.00 82
12 1 2 11 0 1 1127.331 0.001 5.00 82
9 2 7 8 3 6 1130.316 -0.001 5.00 82
7 4 3 6 5 2 1131.828 -0.003 1.25 82
8 4 5 7 3 4 1132.750 -0.009 0.25 82
11 1 0 10 2 9 1133.802 -0.002 1.25 82
7 5 3 6 4 2 1135.477 0.002 0.25 82
5 3 2 4 2 3 1137.206 0.002 0.25 82
6 6 1 5 5 0 1137.738 0.001 5.00 82
10 3 8 9 2 7 1138.402 0.004 0.25 82
6 6 0 5 5 1 1140.603 -0.002 0.25 82
8 4 4 7 5 3 1142.346 -0.003 0.05 82
8 5 4 7 4 3 1143.255 -0.002 1.25 82
6 5 1 5 4 2 1144.651 0.000 0.25 82

 

116

 

 

UPPER. LOWER. OBSERVED OBS-CALC WEIGHT ISO
- -1 -1

J K.a Kc J Ka KC (cm ) (cm )
11 2 9 10 3 8 1146.384 -0.002 1.25 82
15 0 15 14 1 14 1147.464 0.000 1.25 82
7 6 2 6 5 1 1147.993 0.002 0.25 82
13 1 12 12 2 11 1148.568 0.000 5.00 82
10 4 7 9 3 6 1149.847 0.000 5.00 82
9 4 5 8 5 4 1151.694 -0.001 5.00 82
12 3 10 11 2 9 1154.282 0.000 0.05 82
8 6 3 7 5 2 1155.414 0.001 5.00 82
14 2 13 13 1 12 1155.814 0.001 5.00 82
6 6 l 5 3 2 1156.088 0.001 0.25 82
7 7 1 6 6 0 1157.070 0.000 5.00 82
11 3 8 10 4 7 1158.258 -0.003 0.25 82
7 7 O 6 6 1 1159.066 0.001 5.00 82
10. 4 6 9 5 5 1160.673 -0.001 0.05 82
10 5 6 9 4 5 1160.711 0.001 1.25 82
7 6 1 6 5 2 1161.807 0.000 5.00 82
13 2 11 12 3 10 1162.083 -0.002 0.25 82
9 6 4 8 5 3 1162.766 -0.002 0.05 82
9 6 3 8 7 2 1165.581 -0.002 0.25 82
12 4 9 11 3 8 1166.580 -0.001 1.25 82
8 7 2 7 6 1 1168.259 -0.001 5.00 82
11 4 7 10 5 6 1169.501 0.003 5.00 82
14 3 12 13 2 11 1169.797 -0.001 1.25 82
10 5 5 9 6 4 1170.773 -0.002 0.05 82
10 6 5 9 5 4 1171.257 0.002 0.05 82
13 3 10 12 4 9 1174.804 -0.001 1.25 82
9 7 3 8 6 2 1175.940 0.001 0.25 82
8 8 1 7 .7 0 1176.516 -0.002 5.00 82
7 6 2 6 3 3 1176.703 0.001 0.05 82
15 2 13 14 3 12 1177.420 0.000 1.25 82
8 8 0 7 7 1 1177.868 -0.001 0.05 82
12 5 8 11 4 7 1178.212 0.000 1.25 82
10 6 4 9 7 3 1178.981 0.000 0.05 82
8 7 1 7 6 2 1179.318 0.006 0.25 82
11 5 6 10 6 5 1180.121 -0.001 1.25 82
11 6 6 10 5 5 1180.226 -0.003 0.05 82
7 5 3 6 2 4 1181.577 -0.006 0.25 82
10 7 4 9 6 3 1182.837 -0.001 5.00 82
14 4 11 13 3 10 1182.937 0.003 0.25 82
16 3 14 15 2 13 1184.951 -0.002 0.05 82
13 4 9 12 5 8 1186.822 0.002 1.25 82
8 6 2 7 5 3 1187.704 0.003 0.05 82
9 8 2 8 7 1 1188.799 -0.007 0.05 82
12 6 7 11 5 6 1189.248 -0.007 0.05 82
11 6 5 10 7 4 1189.818 -0.004 0.05 82
7 2 5 6 1 6 1194.161 0.004 0.05 82
9 9 1 8 8 0 1196.033 0.001 5.00 82
9 9 O 8 8 1 1196.934 0.001 1.25 82
10 8 3 9 7 2 1196.981 -0.001 1.25 82

 

 

117

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J Ka Kc J Ka Kc (cm ) (cm )

13 5 8 12 6 7 1198.204 0.002 0.05 82
8 5 3 7 4 4 1198.237 0.000 0.05 82
8 8 1 7 5 2 1199.317 0.001 0.05 82

12 7 6 11 6 5 1199.881 -0.005 1.25 82
8 6 3 7 3 4 1200.188 0.004 1.25 82

11 8 4 10 7 3 1203.525 -0.007 0.05 82
9 7 2 8 6 3 1204.407 0.000 5.00 82

14 6 9 13 5 8 1207.062 0.004 0.05 82

13 6 7 12 7 6 1208.988 -0.001 0.05 82

10 9 2 9 8 1 1209.490 0.000 5.00 82

12 8 5 11 7 4 1210.981 -0.009 0.05 82
8 4 5 7 1 6 1212.554 -0.001 0.25 82
9 6 3 8 5 4 1215.535 0.000 0.05 82

10 10 1 9 9 0 1215.575 -0.001 1.25 82

10 10 0 9 9 1 1216.172 -0.004 0.25 82

13 7 6 12 8 5 1219.031 0.012 0.05 82
9 7 3 8 4 4 1219.173 0.002 0.05 82

13 8 6 12 7 5 1219.693 -0.002 0.05 82

10 8 2 9 7 3 1221.188 0.001 0.05 82
9 5 4 8 4 5 1224.331 0.000 1.25 82

11 10 2 10 9 1 1230.177 -0.004 0.25 82
9 4 5 8 3 6 1231.039 0.003 0.25 82
9 5 5 8 2 6 1231.074 -0.002 0.05 82

10 7 3 9 6 4 1232.451 -0.003 0.05 82

11 10 1 10 9 2 1234.499 0.002 1.25 82

11 11 1 10 10 0 1235.122 -0.003 0.05. 82

11 11 0 10 10 1 1235.527 0.000 5.00 82
9. 3 6 8 2 7 1236.999 0.005 0.25 82

11 9 2 10 8 3 1238.178 0.006 0.25 82

10 8 3 9 5 4 1238.634 -0.001 1.25 82

12 10 3 11 9 2 1240.114 -0.010 0.05 82,

10 6 4 9 5 5 1242.397 -0.009 0.05 82
9 2 7 8 1 8 1242.490 0.001 0.05 82

10 7 4 9 4 5 1243.527 0.003 0.25 82

10 6 5 9 3 6 1249.687 0.001 0.25 82

12 11 2 11 10 1 1250.790 -0.001 0.25 82

12 12 1 11 11 0 1254.651 -0.001 0.25 82

11 7 4 10 6 5 1260.171 0.008 0.05 82

10 4 7 9 1 8 1261.276 0.001 0.25 82

11 6 5 10 5 6 1268.068 0.009 0.05 82

13 13 0 12 12 1 1274.324 -0.001 0.05 82

11 4 7 10 3 8 1280.104 -0.002 0.05 82

12 9 4 11 6 5 1281.602 0.012 0.05 82

 

APPENDIX E

WEIGHTED AVERAGED GSCD’S OF H Se ISOTOPOMERS

 

 

2
UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
3 2 1 2 2 1 45.628 -0.004 0.02 74
3 0 3 1 0 1 47.345 0.008 0.01 74
4 1 4 2 1 2 62.703 0.003 0.05 74
7 0 7 5 0 5 109.483 '0.009 0.08 74
O 1 10 8 1 8 156.100 0.006 0.00 74
2 2 1 1 0 1 32.707 0.000 0.82 76
2 1. 2 1 1 0 15.615 0.000 0.48 76
3 3 0 1 1 0 79.625 0.002 0.55 76
3 3 O 2 1 2 64.011 0.002 0.25 76
3 3 0 3 1 2 16.543 -0.004 1.57 76
3 2 1 2 2 1 45.642 0.002 2.09 76
3 3 1 2 1 1 49.708 -0.003 0.41 76
3 2 1 3 O 3 31.021 -0.005 0.10 76
3 3 1 3 1 3 33.721 -0.010 0.01 76
3 1 2 1 1 0 63.077 0.001 0.62 76
3 1 2 2 1 2 47.463 0.002 0.26 76
3 0 3 1 O 1 47.324 0.003 0.67 76
3 1 3 1 1 1 46.877 0.007 0.02 76
3 0 3 2 2 1 14.612 -0.002 0.25 76
3 1 3 2 1 1 15.970 -0.010 0.08 76
4 4 0 2 2 0 111.600 0.012 0.02 76
4 4 0 4 2 2 17.233 -0.002 0.10 76
4 4 1 2 2 1 112.753 -0.002 0.19 76
4 3 1 3 3 1 59.943 0.007 0.25 76
4 4 1 3 2 1 67.117 0.002 0.73 76
4 4 1 3 0 3 98.137 -0.004 0.08 76
4 3 1 4 1 3 30.219 0.000 0.41 76
4 4 1 4 2 3 34.661 -0.001 -0.41 76
4 2 2 2 2 0 94.353 -0.001 0.10 76
4 3 2 3 3 0 47.244 -0.001 0.10 76
4 2 2 3 2 2 62.877 0.003 0.02 76
4 3 2 3 1 2 63.792 -0.001 1.25 76
4 1 3 2 1 1 79.433 0.006 0.05 76
4 1 3 3 3 1 29.724 0.007 0.41 76
4 2 3 3 2 1 32.455 0.002 2.07 76
4 2 3 3 0 3 63.476 -0.003 0.10 76
4 1 4 2 1 2 62.682 -0.002 0.41 76
4 1 4 3 1 2 15.225 0.003 0.02 76
5 5 0 4 3 2 96.376 0.002 0.08 76
5 5 0 5 3 2 18.513 0.002 0.23 76
5 4 1 3 2 1 140.922 -0.002 0.02 76
5 4 1 4 4 1 73.809 0.000 5.09 76

118

119

 

 

UPPER. LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

5 5 1 4 3 1 84.877 0.004 0.10 76
5 4 1 5 2 3 29.382 -0.001 0.98 76
5 3 2 4 3 2 77.870 0.006 2.00 76
5 4 2 4 2 2 80.069 -0.005 0.08 76
5 3 2 5 1 4 47.141 0.005 0.10 76
5 4 2 5 2 4 48.650 -0.010 0.10 76
5 2 3 3 2 1 111.542 0.002 0.48 76
5 2 3 3 0 3 142.563 -0.003 0.08 76
5 2 3 4 4 1 44.426 0.001 0.25 76
5 3 3 4 3 1 49.012 0.009 0.08 76
5 2 3 4 2 3 79.088 0.001 0.50 76
5 2 3 5 0 5 64.272 0.005 0.25 76
5 1 4 3 1 2 94.523 0.003 0.10 76
5 1 4 4 3 2 30.730 0.002 0.20 76
5 2 4 4 2 2 r 31.419 0.004 0.41‘ 76
5 1 4 4 1 4 79.299 0.001 1.25 76
5 0 5 3 0 3 78.296 -0.003 1.25 76
5 0 5 4 2 3 14.820 0.000 0.08 76
6 6 0 4 4 0 175.655 0.003 0.02 76
6 6 0 5 4 2 112.812 0.000 0.05 76
6 6 1 4 4 1 176.724 0.005 0.12 76
6 6 1 5 4 1 102.916 0.005 0.10 76
6 5 1 6 3 3 28.666 -0.005 0.41 76
6 5 2 5 5 0 78.196 -0.002 0.20 76
6 5 2 5 3 2 96.715 0.007 0.05 76
6 5 2 5 1 4 143.842 -0.002 0.25 76
6 4 2 6 2 4 46.056 0.000 0.05 76
6 5 2 6 3 4 48.903 -0.002 2.09 76
6 3 3 4 3 1 143.521 -0.003 0.05 76
6 4 3 5 4 1 65.560 0.000 2.09 76
6 4 3 5 2 3 94.944 0.001 0.50 76
6 3 4 4 3 2 125.678 0.011 0.48 76
6 3 4 5 3 2 47.808 0.005 0.67 76
6 3 4 5 1 4 94.943 0.004 0.16 76
6 2 5 4 2 3 109.936 0.001 0.10 76
6 2 5 5 2 3 30.845 -0.003 0.53 76
6 2 5 5 0 5 95.116 0.001 0.41 76
6 1 6 4 1 4 93.885 0.008 1.67 76
6 1 6 5 1 4 14.582 0.003 2.42 76
7 7 0 5 5 0 207.572 -0.002 0.48 76
7 7 0 5 3 2 226.091 0.006 0.08 76
7 7 0 6 5 2 129.376 -0.001 0.08 76
7 7 0 7 5 2 23.203 0.003 0.48 76
7 6 1 5 2 3 232.875 0.004 0.02 76
7 6 1 6 6 1 100.573 -0.003 0.48 76
7 6 1 7 4 3 28.313 0.021 -0.02 76
7 5 2 6 5 2 106.178 0.001 0.48 76
7 5 2 6 3 4 155.081 -0.001 0.41 76
7 5 2 7 3 4 44.678 0.001 0.51 76

 

120

 

 

UPPER.‘ LOWER. OBSERVED OBS-CALC WEIGHT 130
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

7 6 2 7 4 4 49.364 -0.004 0.05 76
7 4 3 7 2 5 63.066 0.000 0.51 76
7 3 4 5 1 4 205.340 -0.004 0.08 76
7 3 4 6 5 2 61.499 0.000 2.09 76
7 3 4 6 3 4 110.403 -0.001 1.38 76
7 3 4 6 1 6 190.770 0.006 0.05 76
7 3 4 7 1 6 79.858 0.002 0.35 76
7 2 5 5 2 3 141.518 0.005 0.16 76
7 3 5 6 3 3 46.889 0.003 0.01 76
7 2 5 6 2 5 110.670 0.005 0.60 76
7 2 5 7 0 7 96.332 -0.001 0.41 76
7 1 6 5 1 4 125.487 0.000 0.10 76
7 1 6 6 1 6 110.909 0.001 0.19 76
7 0 7 5 0 5 109.444 -0.003 2.01 76
7 0 7 6 2 5 14.337 0.005 2.00 76
8 7 2 8 5 4 50.105_ -0.003 0.05 76
8 6 3 7 4 3 126.630 0.003 0.10 76
8 6 3 7 2 5 189.698 0.005 0.05 76
8 5 4 8 3 6 79.413 0.011 0.41 76
8 4 5 6 2 5 236.756 0.002 0.08 76
8 4 5 7 4 3 63.030 0.007 0.50 76
8 4 5 7 2 5 126.095 0.006 0.47 76
8 4 5 7 0 7 222.428 0.005 0.41 76
8 4 5 8 2 7 95.742 —0.003 0.41 76
8 3 6 6 3 4 156.916 0.003 0.05 76
8 3 6 6 1 6 237.282 0.009 0.08 76
8 3 6 7 3 4 46.512 0.003 0.08 76
8 3 6 7 1 6 126.371 0.005 0.42 76
8 2 7 6 2 5 141.010 0.000 2.25 76
8 2 7 7 2 5 30.341 -0.004 0.41 76
8 2 7 7 0 7 126.673 -0.005 1.25 76
8 1 8 6 1 6 125.005 0.003 2.07 76
9 7 2 8 7 2 132.134 -0.002 0.48 76
9 7 2 9 5 4 41.508 -0.002 0.41 76
9 6 3 9 4 5 60.599 -0.001 0.08 76
9 5 4 8 5 4 140.724 -0.009 0.51- 76
9 5 4 8 3 6 220.138 0.003 0.25 76
9 5 4 9 3 6 78.458 -0.003 0.10 76
9 4 5 7 4 3 204.373 0.019 0.02 76
9 4 5 '7 2 5 267.438 0.018‘ 0.02 76
9 4 5 8 4 5 141.341 0.010 0.02 76
9 4 5 9 2 7 95.042 -0.006 0.25 76
9 3 6 7 3 4 188.176 -0.008 0.08 76
9 3 6 7 1 6 268.033 -0.007 0.08 76
9 3 6 8 3 6 141.678 0.003 0.02 76
9 3 6 9 1 8 111.526 0.003 0.10 76
9 2 7 7 0 7 268.708 0.003 0.41 76
9 2 7 8 4 5 46.280 -0.003 1.25 76
9 2 7 8 2 7 142.028 0.001 0.10 76

121

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

9 1 8 7 1 6 156.517 0.000 2.00 76
9 1 8 8 3 6 30.147 -0.004 0.10 76
9 0 9 7 0 7 140.541 0.000 5.00 76
10 7 4 9 7 2 115.153 -0.003 0.41 76
10 7 4 9 5 4 156.661 -0.005 0.25 76
10 6 5 10 4 7 94.342 0.002 0.10 76
10 5 6 10 3 8 110.696 -0.003 0.10 76
10 4 7 8 4 5 203.500 0.002 0.41 76
10 4 7 8 2 7 299.242 -0.001 0.25 76
10 4 7 10 2 9 127.246 0.007 0.17 76
10 3 8 8 3 6 187.800 -0.002 0.48 76
10 3 8 9 3 6 46.133 0.005 0.48 76
10 3 8 9 1 8 157.655 0.004 0.25 76
10 2 9 8 2 7 172.004 -0.001 0.10 76
10 1 10 8 1 8 156.060 -0.002 2.00 76
10 1 10 9 1 8 13.633 -0.006 0.10 76
11 3 8 '9 1 8 330.357 0.002 0.02 76
11 3 8 10 5 6 62.007 0.002 0.10 76
11 3 8 10 3 8 172.703 -0.001 0.05 76
11 2 9 9 2 7 203.216 0.004 . 0.10 76
11 1 10 9 1 8 187.472 0.001 2.00- 76
11 1 10 10 1 10 173.839 0.007 0.10 76
12 3 10 10 3 8 218.595 -0.003 0.10 76
12 1 12 10 1 10 187.035 -0.005 2.01 76
13 2 11 11 2 9 233.955 -0.002 0.41 76
14 1.14 12 1 12 217.928 0.011 0.41 76
2 2 1 1 0 1 32.702 0.006 0.16 77
2 1 2 1 1 0 15.614 0.002 0.05 77
3 3 0 1 1 0 79.611 0.004 0.08 77
3 3 O 3 1 2 16.536 -0.004 0.55 77
3 2 1 2 2 1 45.642 -0.001 0.41 77
3 3 1 2 1 1 49.678 -0.012 0.06 77
3 1 2 1 1 0 63.072 0.005 0.17 77
3 1 2 2 1 2 47.470 0.015 0.02 77
3 0 3 1 0 1 47.308 -0.004 0.32 77
3 O 3 2 2 1 14.608 -0.008 0.08 77
4 4 0 3 2 2 80.070 -0.019 0.02 77
4 3 1 3 3 1 59.945 0.000 0.08 77
4 4 1 3 2 1 67.077 -0.004 0.43 77
4 4 1 3 0 3 98.111 0.003 0.02 77
4 3 1 4 1 3 30.217 -0.007 0.25 77
4 4 1 4 2 3 34.639 -0.001 0.28 77
4 3 2 3 3 0 47.244 0.005 0.60 77
4 3 2 3 1 2 63.776 -0.003 0.38 77
4 1 3 2 1 1 79.411 0.000 0.02 77
4 2 3 3 2 1 32.443 0.002 0.60 77
4 2 3 3 0 3 63.470 0.002 0.08 77
5 5 0 3 3 0 143.590 0.007 0.08 77 .
5 5 O 4 3 2 96.345 0.001 0.10 77

 

 

122

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

5 5 0 5 3‘ 2 18.480 -0.002 0.10 77
5 4 1 4 4 1 73.826 0.000 2.15 77
5 4 1 5 2 3 29.391 0.001 0.69 77
5 3 2 4 3 2 77.863 0.001 0.08 77
5 4 2 4 2 2 80.066 0.013 0.06 77
5 4 2 5 2 4 48.650 0.002 0.08 77
5 2 3 3 2 1 111.517 0.000 0.50 77
5 2 3 4 4 1 44.431 -0.004 0.23 77
5 2 3 4 2 3 79.071 -0.005 0.25 77
5 2 3 5 0 5 64.272 0.014 0.08 77
5 1 4 4 3 2 30.725 0.001 0.02 77
5 1 4 4 1 4 79.286 0.001 0.10 77
5 0 5 3 0 3 78.285 -0.001 0.25 77
6 6 1 4 4 1 ’176.669 0.000 0.10 77
6 6 1 5 4 1 102.843 -0.001 0.10 77
6 5 1 5 3 3 123.182 -0.004 0.25 77
6 5 2 5 5 0 78.191 -0.003 1.25 77
6 5 2 5 3 2 96.674 -0.001 0.25 77
6 5 2 6 3 4 48.890 0.000 0.41 77
6 4 3 5 4 1 65.537 0.002 0.49 77
6 4 3 5 2 3 94.931 0.005 0.25 77
6 4 3 6 2 5 64.084 -0.001 0.06 77
6 3 4 4 3 2 125.650 0.002 0.05 77
6 3 4 5 3 2 47.787 0.001 0.08 77
6 2 5 5 2 3 30.840 -0.001 0.05 77
6 1 6 4 1 4 93.866 0.004 0.35 77
6 1 6 5 1 4 14.575 -0.002 0.42 77
7 7' O 5 5 0 207.521 0.009 0.10 77
7 7 O 5 3 2 226.001 0.007 0.05 77
7 6 1 5 4 1 203.455 0.001 0.41 77
7 6 1 5 2 3 232.839 -0.005 0.19 77
7 6 1 6 6 1 100.607 -0.003 0.41 77
7 6 1 7 4 3 28.308 0.016 0.10 77
7 S 2 6 5 2 106.193 0.002 0.10 77
7 5 2 6 3 4 155.083 0.003 0.08 77
7 5 2 7 3 4 44.694 0.001 0.51 77
7 6 2 7 4 4 49.348 0.001 0.08 77
7 4 3 7 2 5 63.060 -0.004 0.43 77
7 3 4 6 5 2 61.499 0.001 1.25 77
7 3 4 6 3 4 110.389 0.002 0.47 77
7 3 4 7 1 6 79.838 -0.006 0.25 77
7 2 5 6 4 3 46.560 -0.002 0.02 77
7 2 5 6 2 5 110.646 -0.001 0.10 77
7 2 5 7 0 7 96.321 0.003 0.08 77
7 1 6 6 1 6 110.900 0.010 0.02 77
7 0 7 5 0 5 109.430 0.002 0.05 77
7 0 7 6 2 5 14.325 -0.004 0.41 77
8 8 1 8 6 3 40.918 -0.001 0.10 77
8 6 2 8 4 4 43.125 0.001 0.08 77

 

123

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J Ka Kc J Kg KC (cm ) (cm )
8 7 2 8 5 4 50.084 0.005 0.10 77
8 6 3 7 4 3 126.595 0.002 0.19 77
8 6 3 7 2 5 189.655 -0.002 0.08 77
8 6 3 8 4 5 63.591 0.002 0.10 77
8 5 4 8 3 6- 79.392 0.004 0.48 77
8 4 5 6 4 3 172.630 0.000 0.10 77
8 4 5 6 2 5_ 236.712 -0.003 0.10 77
8 4 5 7 2 5 126.071 0.003 0.08 77
8 3 6 6 3 4 156.889 0.001 0.10 77
8 3 6 6 3 5 156.894 -0.009 0.05 77
8 3 6 7 3 4 46.505 0.004 0.08 77
8 3 6 7 1 6 126.341 -0.004 0.12 77
8 2 7 6 2 5 140.994 0.007 0.19 77
8 2 7 7 2 5 30.345 0.004 0.05 77
8 2 7 7 0 7 126.666 0.008 0.08 77
8 1 8 6 1 6 124.983 0.002 1.25 77
8 1 8 7 1 6 14.086 -0.006 0.50 77
9 7 2 8 7 2 132.171 0.002 0.08 77
9 6 3 7 4 3 264.927 -0.002 0.26 77
9 6 3 7 2 5 327.990 -0.003 0.02 77
9 6 3 8 6 3 138.331 -0.005 0.02 77
9 6 3 9 4 5 60.614 -0.003 0.12 77
9 5 4 8 3 6 220.106 0.002 0.02 77
9 5 4 9 3 6 78.454 0.001 0.26 77
9 4 5 7 4 3 204.311 -0.001 0.43 77
9 4 5 7 2 5 267.377 0.001 0.01 77
9 4 5 8 6 3 77.716 -0.003 0.08 77
9 5 5 8 3 5 141.349 0.003 0.05 77
9 4 5 8 2 7 237.033 -0.003 0.02 77
9 4 5 9 2 7 95.025 -0.006 0.08 77
9 3 6 7 3 4 188.157 0.005 0.08 77
9 3 6 7 1 6 267.995 -0.001 0.08 77
.9 3 6 8 3 6 141.658 0.007 0.15 77
9 3 6 9 1 8 111.503 0.001 0.10 77
9 2 7 7 2 5 172.347 0.002 0.08 77
9 2 7 8 4 5 46.276 -0.001 0.05 77
9 2 7 8 2 7 142.006 0.001 0.02 77
9 1 8 7 1 6 156.489 -0.005 0.41 77
9 1 8 8 3 6 30.154 0.005 0.48 77
9 1 8 8 1 8 142.405 0.003 0.31 77
9 0 9 7 O 7 140.519 0.000 2.00 77
9 0 9 8 2 7 13.865 0.004 0.10 77
10 6 5 10 4 7 94.325 0.005 0.08 77
10 5 6 8 3 6 298.463 0.012 0.02 77
10 5 6 9 5 4 78.350 0.003 0.08 77
10 5 6 9 3 6 156.805 0.005 0.08 77
10 5 6 10 3 8 110.679 0.004 0.02 77
10 4 7 8 2 7 299.211 0.016 0.08 77
10 4 7 10 2 9 127.217 0.003 0.08 77

 

124

 

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J Ka Kc J Ka Kc (cm ) (cm )
10 3 8 8 3 6 187.775 -0.001 0.10 77
10 3 8 9 3 6 46.121 -0.004 0.10 77
10 3 8 9 1 8 157.622 -0.005 0.12 77
10 2 9 8 2 7 171.985 0.004 0.05 77
10 1 10 8 1 8 156.034 -0.004 0.55 77
10 1 10 9 1 8 13.634 -0.002 0.17 77
11 5 6 9 3 6 328.542 -0.009 0.19 77
11 4 7 10 4 7 172.202 0.003 0.02 77
11 3 8 10 3 8 172.681 - 0.004 0.05 77
11 1 10 9 1 8 187.450 0.003 0.41 77
11 1 10 10 1 10 173.807 -0.004 0.08 77
11 0 11 9 O 9 171.528 -0.009 0.15 77
12 5 8 10 5 6 249.536 -0.004 0.02 77
12 5 8 10 3 8 360.215 0.000 1.25 77
12 3 10 10 3 8 218.579 0.007 0.10 77
12 3 10 10 1 10 362.555 -0.008 0.06 77
12 2 11 11 2 9 29.670 -0.009 0.10 77
12 1 12 10 1 10 187.023 0.010 0.02 77
13 2 11 11 2 9 233.927 -0.003 0.10 77
13 2 11 12 2 11 204.257 0.007 0.05 77
13 0 13 11 0 11 202.466 0.002 0.10 -77
14 1 14 12 1 12 217.888 0.001 0.41 77
2 2 0 0 0 0 47.726 0.007 0.02 78
2 2 0 2 0 2 16.256 0.000 0.36 78
2 1 1 1 1 1 30.893 0.003 0.48 78
2 2 1 1 0 1 32.685 0.000 7.09 78
2 0 2 O 0 0 31.467 0.004 0.06 78
2 1 2 1 1 0 15.609 -0.001 4.00 78
3 3 0 1 1 0 79.592 0.000 6.50 78
3 3 0 2 1 2 63.982 0.000 2.98 78
3 3, 0 3 1 2 16.532 -0.001 8.75 78
3 2 1 1 0 1 78.338 0.005 0.12 78
3 3 1 1 1 1 80.566 0.007 0.41 78
3 2 1 2 2 1 45.649 0.002 2.60 78
3 3 1 2 1 1 49.672 0.002 2.18 78
3 2 1 3 0 3 31.029 0.000 1.54 78
3 3 1 3 1 3 33.700 -0.002 0.05 78
3 1 2 1 1 0 63.058 -0.001 3.32 78
3 2 2 2 2 0 31.464 -0.006 0.15 78
3 1 2 2 1 2 47.448 -0.001 2.09 78
3 2 2 2 0 2 47.719 -0.007 0.08 78
3 0 3 1 0 1 47.303 -0.001 1.00 78
3 1 3 1 1 1 46.859 0.001 0.02 78
3 0 3 2 2 1 14.618 0.000 0.58 78
3 1 3 2 1 1 15.961 -0.007 0.10 78
4 4 0 3 2 2 80.066 -0.003 0.12 78
4 4 0 4 2 2 17.209 0.004 1.50 78
4 4 1 2 2 1 112.695 -0.001 0.15 78
4 3 1 3 3 1 59.955 0.000 2.01 78

 

 

125

 

 

UPPER OBSERVED OBS-CALC ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

4 4 1 3 2 1 67.050 0.001 7.28 78
4 4 1 3 0 3 98.082 0.004 0.10 78
4 3 1 4 1 3 30.229 0.000 5.43 78
4 4 1 4 2 3 34.618 -0.001 7.75 78
4 2 2 2 2 0 94.331 -0.003 0.48 78
4 3 2 2 1 2 111.216 0.001 0.16 78
4 3 2 3 3 0 47.236 0.003 5.61 78
4 2 2 3 2 2' 62.857 -0.008 0.12 78
4 3 2 3 1 2 63.766 0.000 2.75 78
4 3 2 4 1 4 48.549 -0.002 0.26 78
4 1 3 2 1 1 79.406 0.010 0.01 78
4 2 3 2 2 1 78.078 0.001 0.12 78
4 1 3 3 3 1 29.720 -O.006 0.08 78
4 2 3 3 2 1 32.430 0.001 9.10 78
4 2 3 3 0 3 63.460 0.002 2.20 78
4 1 4 2 1 2 62.664 0.000 0.42 78
4 1 4 3 1 2 15.221 0.007 0.69 78
5 5 0 3 3 0 143.551 0.002 5.66 78
5 5 0 4 3 2 96.316 0.000 7.00 78
5 5 0 5 3 2 18.455 0.001 1.70 78
5 4 1 3 2 1 140.896 0.004 0.48 78
5 5 1 3 3 1 144.728 -0.004 0.82 78
5 4 1 3 0 3 171.928 0.007 0.08 78
5 4 1 4 4 1 73.844 0.001 7.47 78
5 5 1 4 3 1 84.774 -0.003 0.76 78
5 4 1 4 2 3 108.463- 0.000 2.56 78
5 5 1 4 1 3 115.002 -0.004 0.16 78
5 4 1 5 2 3 29.399 0.001 7.72 78
5 5 1 5 3 3 35.807 -O.002 0.28 78
5 3 2 3 3 0 125.095 0.000 0.02 78
5 4 2 3 2 '2 142.889 -0.008 0.02 78
5 4 2 4 4 0 62.825 -O.003 0.41 78
5 3 2 4 3 2 77.864 0.002 4.25 78
5 4 2 4 2 2 80.031 -0.002 1.42 78
5 3 2 5 1 4 47.140 0.000 2.76 78
5 4 2 5 2 4 48.638 0.001 0.55 - 78
5 2 3 3 2 1 111.495 0.001 5.27 78
5 3 3 3 3 1 108.917 -0.006 0.02 78
5 2 3 3 0 3 142.527 0.004 0.10 78
5 2 3 4 4 I 44.445 0.000 6.71 78
5 3 3 4 3 1 48.970 0.002 0.85 78
5 2 3 4 2 3 79.065 0.000 7.18 78
5 3 3 4 1 3 79.195 -0.002 0.08 78
5 2 3 5 0 5 64.247 -0.003 3.68 78
5 1 4 3 1 2 94.492 0.005 0.10 78
5 1 4 4 3 2 30.728 0.007 0.20 78
5 2 4 4 2 2 31.393 -0.003 0.24 78
5 1 4 4 1 4 79.272 -0.001 5.05 78
5 0 5 3 0 3 78.271 —0.002 2.00 78

 

 

126

 

 

UPPER. LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a Kc J Kch (cm ) (cm )

5 0 5 4 2 3 14.831 0.017 0.82 78
6 6 0 4 2 2 192.762 0.000 0.08 78
6 6 0 5 4 2 112.725 -0.004 0.73 78
6 6 0 6 4 2 20.398 -0.002 0.41 78
6 6 1 4 4 1 176.620 -0.003 5.21 78
6 5 1 5 5 1 87.381 0.008 0.01 78
6 6 1 5 4 1 102.776 -0.004 5.13 78
6 6 1 5 2 3 132.168 -0.010 0.02 78
6 5 1 6 3 3 28.680 ' -0.005 0.02 78
6 6 1 6 4 3 37.260 -0.006 0.10 78
6 5 2 4 3 2 174.514 0.007 0.08 78
6 5 2 5 5 0 78.193 0.002 1.67 78
6. 4 2 5 4 2 92.326 -0.004 2.48 78
6 5 2 5 3 2 96.644 -0.001 6.58 78
6 4 2 5 2 4 140.967 0.000 0.25 78
6 5 2 7 5 1 4 143.784 -0.001 2.00 78
6 4 2 6 2 4 46.073 -0.001 1.27 78
6 5 2 6 3 4 48.873 -0.003 5.18 78
6 3 3 4- 3 1 143.470 0.004 0.42 78
6 4 3 4 4 1 139.356 -0.001 1.25 78
6 3 3 4 1 3 173.695 0.000 0.25 78
6 4 3 4 2 3 173.976 0.000 1.29 78
6 3 3 5 5 1 58.699 0.010 0.10 78
6 4 3 5 4 1 65.513 0.000 7.24 78
6 3 3 5 3 3 94.502 0.004 0.10 78
6 4 3 5 2 3 94.911 0.000 7.91 78
6 4 3 5 O 5 159.173 0.011 0.41 78
6 3 3 6 1 5 63.765 -0.004 0.41 78
6 4 -3 6 2 5 64.078 0.001 2.18 78
6 3 4 5 3 2 47.771 0.001 0.58 78
6 3 4 5 1 4 94.912 0.002 0.35 78
6 3 4 6 1 6 80.341 0.004 0.60 78
6 2 5 4 2 3 109.899 0.000 0.25 78
6 2 5 5 2 3 30.837 0.003 1.90 78
6 2 5 5 0 5 95.083 -0.002 2.84 78
6 1 6 4 1 4 93.847 0.001 5.00 78
6 1 6 5 1 4 14.573 0.000 0.10 78
7 7 O 5 5 0 207.453 -0.003 2.00 78
7 7 0 5 3 2 225.907 -0.003 2.00 78
7 7 0 6 5 2 129.264 -0.001 0.48 78
7 6 1 5 4 1 203.423 -0.002 0.50 78
7 6 1 6 6 1 100.647 0.002 5.18 78
7 7 1 6 5 1 120.933 -0.013 0.34 78
7 6 1 6 4 3 137.912 0.001 1.02 78
7 6 1 7 4 3 28.294 -0.001 5.16 78
7 5 2 6 5 2 106.210 0.003 2.00 78
7 6 2 6 4 2 113.693 0.000 0.19 78
7 5 2 6 3 4 155.083 0.001 2.00 78
7 6 2 6 2 4 159.771 0.003 0.02 78

 

127

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 180
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

7 5 2 7 3 4 44.710 0.000 5.00 78
7 6 2 7 4 4 49.334 0.006 0.10 78
7 4 3 5 4 1 175.122 -0.008 0.25 78
7 5 3 5 5 1 169.353 -0.002 0.25 78
7 5 3 5 3 3 205.158 -0.006 0.08 78
7 4 3 6 4 3 109.627 0.011 0.10 78
7 5 3 6 3 3 110.668 0.001 0.17 78
7 4 3 6 2 5 173.698 0.005 0.08 78
7 5 3 6 1 5 174.429 -0.007 0.08 78
7 4 3 7 2 5 63.065 0.002 6.36 78
7 5 3 7 3 5 63.807 0.004 0.16 78
7 3 4 5 3 2 158.136 -0.005 5.30 78
7 4 4 5 4 2 156.693 -0.002 0.48 78
7 3 4 5 1 4 205.277 -0.004 2.00 78
7 4 4 5 2 4 205.330 -0.001 0.25 78
7 3 4 6 5 2 61.493 -0.003 5.08 78
7 4 4 6 4 2 64.366 0.001 0.34 78
7 3 4 6 3 4 110.370 -0.002 0.50 78
7 4 4 6 2 4 110.445 0.006 0.10 78
7 3 4 6 3 5 110.371 -0.015 0.25 78
7 3 4 6 1 6 190.703 -0.005 0.34 78
7 3 4 7 1 6 79.833 -0.002 0.89 78
7 2 5 5 2 3 141.473 0.008 0.60 78
7 2 5 5 0 5 205.714 -0.001 0.13 78
7 2 5 6 4 3 46.564 0.010 0.42 78
7 3 5 6 3 3 '46.861 —0.003 0.47 78
7 2 5 6 2 5 110.640 0.009 0.76 78
7 3 5 6 1 5 110.626 -0.007 0.25 78
7 2 5 7 0 7 96.309 0.003 1.72 78
7 1 6 5 1 4 125.446 0.000 0.48 78
7 1 6 6 3 4 30.538 0.002 0.12 78
7 1 6 6 3 5 30.537 -0.014 0.41 78
7 1 6 6 1 6 110.873 0.000 1.45 78
7 0 7 5 0 5 109.408 -0.002 2.07 78
7 0 7 6 2 5 14.321 -0.004 6.34 78
8 8 1 6 6 1 239.767 0.001 2.25 78
8 8 1 7 6 1 139.121 0.000‘ 2.48 78
8 7 1 7 5 3 152.770 0.009 0.41 78
8 8 1 7 4 3 167.419 0.003 0.48 78
8 7 1 8 5 3 28.481 -0.001 0.41 78
8 6 2 6 4 2 233.180 0.002 1.25 78
8 7 2 6 5 2 237.418 -0.002 0.48 78
8 6 2 6 2 4 279.258 0.006 0.02 78
8 7 2 7 7 0 108.154 -0.002 0.25 78
8 6 2 7 6 2 119.484 -O.OOI 0.27 78
8 6 2 8 4 4 43.153 0.004 1.25 78
8 6 3 6 4 3 236.184 -0.003 0.60 78
8 6 3 6 2 5 300.259 -0.004 0.25 78
8 6 3 7 6 1 98.276 0.001 0.33 78

128

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 150
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

8 5 3 7 5 3 124.285 0.006 0.17 78
8 6 3 7 4 3 126.566 -0.004 2.15 78
8 5 3 7 3 5 188.099 0.017 0.02 78
8 6 3 7 2 5 189.632 -0.001 2.04 78
8 5 3 8 3 5 62.045 0.003 0.42 78
8 6 3 8 4 5 63.581 -0.002 3.34 78
8 4 4 6 4 2 190.027 -0.002 1.25 78
8 5 4 6 5 2 187.367 -0.001 0.10 78
8 4 4. 6 2 4 236.105 0.001 0.02 78
8 5 4 6 3 4 236.241 -0.003 0.20 78
8 5 4 6 1 6 316.581 0.001 0.02 78
8 4 4 7 6 2 76.334 -0.002 0.19 78
8 5 4 7 5 2 81.163 .0.001 2.34 78
8 5 4 7 3 4 125.873 0.001 2.06 78
8 5 4 7 1 6 205.704 -0.003 0.17 78
8 5 4 8 3 6 79.384 0.003 2.15 78
8 4 5 6 4 3 172.601 -0.003 0.55 78
8 4 5 6 2 5 236.682 0.001 0.41 78
8 4 5 7 4 3 62.988 0.000 3.37 78
8 3 5 7 3 5 126.054 0.015 0.08 78
8 4 5 7 2 5 126.053 0.003 2.62 78
8 4 5 7 0 7 222.354 -0.002 0.51 78
8 4 5' 8 2 7 95.717 0.000 1.71 78
8 3 6 6 3 4 156.871 0.009 0.13 78
8 3 6 6 3 5 156.862 -0.015 0.41 78
8 3 6 6 1 6 237.193 -0.006 0.67 78
8 3 6 7 3 4 46.490 -0.001 0.87 78
8 3 6 7 1 6 126.324 -0.002 2.96 78
8 3 6 8 1 8 112.241 0.001 0.50 78
8 2 7 6 2 5 140.964 0.000 5.41 78
8 2 7 7 2 5 30.321 -0.012 0.50 78
8 2 7 7 O 7 126.644 0.005 5.12 78
8 1 8 6 1 6 124.966 '0.006 5.15 78
8 1 8 7 1 6 14.090 0.004 0.57 78
9 9 0 7 7 0 270.468 0.003 0.10 78
9 9 0 9 7 2 30.089 -0.013 0.05 78
9 8 1 8 8 1 127.005 0.015 0.10 78
9 8 1 8 6 3 167.834 -0.002 0.57 78
9 8 1 9 6 3 29.504 0.003 0.48 78
9 7 2 8 7 2 132.206 -0.001 1.72 78
9 7 2 9 5 4 41.562 0.000 0.17 78
9 6 3 7 4 3 264.901 -0.004 0.19 78
9 6 3 7 2 5 327.972 0.005 0.06 78
9 6 3 8 6 3 138.341 0.007 0.06 78
9 6 3 8 4 5 201.912 -0.005 0.19 78
9 6 3 9 4 5 60.627 -0.002 2.14 78
9 5 4 7 5 2 221.854 -0.005 0.41 78
9 5 4 7 3. 4 266.567 -0.003 0.04 78
9 5 4 7 1 6 346.403 -0.002 0.24 78

 

 

129

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J Ka Kc J Ka Kc (cm ) (cm )
9 5 4 8 7 2 90.643 -0.003 0.10 78
9 5 4 8 5 4 140.692 -0.006 0.80 78
9 6 4 8 4 4 141.260 0.020 -0.08 78
9 5 4 8 3 6 220.076 -0.003 0.55 78
9 5 4 9 3 6 78.448 -0.001 2.04 78
9 6 4 9 4 6 78.8341 0.000 0.41 78
9 4 5 7 4 3 204.272 -0.003 0.49 78
9 4 5 7 2 5 267.344 0.006 0.10 78
9 5 5 7 3 5 267.382 0.016 0.41 78
9 4 5 7 0 7 363.646 0.002 0.10 78
9 4 5 8 6 3 77.711 0.006 0.08 78
9 5 5 8 5 3 79.283 -0.001 0.02 78
9 4 5 8 4 5 141.294 0.006 1.10 78
9 5 5 8 3. 5 141.328 0.002 0.10 78
9 4 5 8 2 7 237.020 0.015 0.50 78
9 4 5 9 2 7 95.024 0.002 1.78 78
9 4 5 '9 0 9 223.139 -0.011 0.06 78
9 3 6 7 3 4 188.126 0.005 0.41 78
9 3 6 7 1 6 267.958 0.002 1.25 78
9 3 6 8 5 4 62.238 -0.011 0.10 78
9 3 6 8 3 6 141.636 0.006 1.46 78
9 3 6 8 1 8 253.874 0.004 0.16 78
9 3 6 9 1 8 111.490 0.000 2.15 78
9 2 7 7 2 5 172.321 0.005 2.00 78
9 2 7 7 O 7 268.624 0.002 2.07 78
9 2 7 8 4 5 46.266 0.000 1.03 78
9 2 7 8 2 7 141.985 0.002 0.98 78
9 2 7 9 0 9 128.132 0.004 0.57 78
9 1 8 7 1 6 156.467 0.001 2.00 78
9 1 8 8 3 6 30.140 0.000 2.01 78
9 1 8 8 1 8 142.380 0.000 0.50 78
9 0 9 7 0 7 140.495 0.001 5.02 78
9 0 9 8 2 7 13.859 0.004 0.25 78
10 9 2 9 9 0 137.422 -0.006 0.10 78
10 8 2 10 6 4 40.196 0.000 0.10 78
10 8 3 9 6 3 159.396 0.004 0.48 78
10 8 3 9 4 5 220.023 0.001 0.41 78
10 7 4 9, 7 2 115.052 0.004 0.10 78
10 7 4 9 5 4 156.614 0.004 1.25 78
10 7 4 10 5 6 78.279 -0.002 2.00 78
10 6 5 8 6 3 234.160 -0.005 0.41 78
10 6 5 8 4 5 297.742 -0.005 0.48 78
10 6 5 9 4 5 156.464 0.004 0.10 78
10 6 5 9 2 7 251.484 0.003 0.10 78
10 6 5 10 4 7 94.319 0.004 0.27 78
10 5 6 8 5 4 219.014 -0.013 0.41 78
10 5 6 8 3 6 298.402 -0.006 0.42 78
10 5 6 8 1 8 410.650 0.002 0.26 78
10 5 6 9 5 4 78.328 -0.001 0.17 78

130

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT 130
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
10 5 6 9 3 6 156.777 -0.001 0.30 78
10 5 6 9 1 8 268.268 0.000 0.10 78
10 5 6 10 3 8 110.665 -0.001 2.12 78
10 4 7 8 4 5 203.436 0.003 1.25 78
10 4 7 8 2 7 299.152 0.002 1.27 78
10 4 7 9 4 5 62.142 -0.003 0.41 78
10 4 7 9 2 7 157.164 -0.003 0.53 78
10 4 7 9 0 9 285.299 0.004 0.17 78
10 4 7 10 2 9 127.200 0.000 0.66 78
10 3 8 8 3 6 187.741 -0.002 5.09 78
10 3 8 8 1 8 299.983 0.001 0.73 78
10 3 8 9 3 6 46.112 0.000 2.18 78
10 3 8 9 1 8 157.601 -0.001 3.32 78
10 2 9 8 2 7 171.948 -0.002 0.55 78
10 2 9 9 2 7 29.962 -0.005 0.57 78
10 2 9 9 0 9 158.095 0.000 1.61 78
10 1 10 8 1 8 156.009 -0.001 5.02 78
10 1 10 9 1 8 13.632 0.002 2.00 78
11 9 2 11 7 4 39.367 -0.004 0.10 78
11 8 3 10 8 3 164.198 -0.003 0.15 78
11 8 3 11 6 5 56.607 0.001 0.41 78
11 7 4 11 5 6 76.060 0.004 0.41 78
11 7 5 10 7 3 112.661 -0.008 0.25 78
11 6 5 11 6 5 .001 0.001 0.10 78
11 6 5 11 4 7 93.297 0.000 0.55 78
11 5 6 9 5 4 250.051 -0.006 0.10 78
11 5 6 9 3 6 328.501 -0.005 0.17 78
11 5 6 10 5 6 171.719 -0.009 0.05 78
11 5 6 11 3 8 109.746 0.003 0.41 78
11 4 7 9 2 7 329.338 -0.003 0.26 78
11 4 7 10 4 7 172.178 0.003 0.12 78
11 4 7 10 2 9 299.384 0.010 0.16 78
11 4 7 11 2 9 126.194 0.002 0.25 78
11 3 8 9 3 6 218.762 0.000 0.10 78
11 3 8 9 1 8 330.251 -0.001 0.51 78
11 3 8 10 5 6 61.985 0.001 0.53 78
11 3 8 10 3 8 172.650 0.000 0.51 78
11 3 8 11 1 10 142.836 -0.004 0.92 78
11 2 9 9 2 7 203.149 0.000 2.00 78
11 2 9 9 0 9 331.281 0.004 0.41 78
11 2 9 10 4 7 45.984 0.002 0.57 78
11 2 9 10 2 9 173.188 0.006 0.92 78
11 1 10 9 1 8 187.411 -0.002 2.00 78
11 1 10 10 3 8 29.811 0.001 0.49 78
11 1 10 10 1 10 173.779 -0.004 1.39 78
11 0 11 9 0 9 171.507 0.001 5.00 78
12 7 6 12 5 8 '108.785 0.001 0.10 78
12 6 7 12 4 9 125.112 0.001 0.10 78
12 5 8 10 5 6 249.505 0.009 0.10 78

131

 

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
12 5 8 10 3 8 360.170 0.008 0.10 78
12 5 8 11 5 6 77.765 -0.003 0.10 78
12 5 8 11 3 8 187.516 0.004 0.16 78
12 5 8 12 3 10 141.641 0.010 0.20 78
12 4 9 10 4 7 234.066 0.003 1.25 78
12 4 9 10 2 9 361.259 -0.004 0.10 78
12 4 9 11 2 9 188.083 0.002 0.02 78
12 4 9 12 2 11 158.412 0.002 0.10 78
12 3 10 10 3 8 218.527 -0.003 2.00 78
12 3 10 11 1 10 188.716 -0.004 0.41 78
12 2 11 11 2 9 29.670 -0.001 0.50 78
12 1 12 10 1 10 186.980 -0.001 6.30 78
13 5 8 11 3 8 389.685 -0.001 0.41 78
13 4 9 11 2- 9 390.861 -0.002 1.67 78
13 4 9 13 2 11 156.971 -0.006 0.01 78
13 3 10 11 3 8 249.341 0.004 1.35 78
13 3 10 11 1 10 392.175 -0.002 0.50 78
13 3 10 12 5 8 61.825 -0.001 0.10 78
13 3 10 12 3 10 203.463 0.006 0.05 78
13 2 11 11 2 9 233.888 0.003 0.50 78
13 2 11 12 4 9 45.802 -0.003 0.01 78
13 2 11 12 2 11 204.218 0.003 0.25 78
13 1 12 11 1 10 218.266 -0.001 1.25 78
13 0 13 11 0 11 202.434 0.002 5.00 78
13 0 13 12 2 11 12.989 -0.002 0.10 78
14 5 10 12 5 8 279.803 -0.009 0.20 78
14 5'10 12 3 10 421.449 0.006 0.12 78
14 4 11 12 2 11 423.003 0.011 0.02 78
14 2 13 12 2 11 233.657 0.002 0.53 78
14 2 13 13 0 13 220.667 0.003 0.08 78
14 1 14 12 1 12 217.858 0.001 1.25 78
15 2 13 13 0 13 455.733 0.001 0.02 78
15 0 15 13 0 13 233.250 -0.005 1.25 78
16 1 16 14 1 14 248.622 0.000 0.49' 78
17 O 17 15 0 15 263.972 0.014 0.10 78 -
2 2 0 0 0 0 47.699 -0.004 2.09 80
2 2 0 2 0 2 16.251 0.002 2.79 80
2 1 1 1 1 1 30.887 -0.003 4.93 80
2 2 1 1 0 1 32.663 ~0.002 8.25 80
2 0 2 O O 0 31.451 -0.003 2.04 80
2 1 2 1 1 0 15.604 -0.001 7.33 80
3 3 0 1 1 0 79.562 0.000 5.34 80
3 3 0 2 1 2 63.959 0.002 7.74 80
3 3 0 3 1 2 16.520 0.001 0.13 80
3 3 0 4 1 4 1.320 0.008 0.41 80
3 2 1 1 0 1 78.317 -0.002 0.75 80
3 3 1 l 1 1 80.522 0.002 2.09 80
3 2 1 2 2 1 45.655 0.001 6.31 80
3 3 1 2 1 1 49.633 0.002 6.22 80

132

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

3 2 1 3 0 3 31.034 . 0.002 2.95 80
3 3 1 3 1 3 33.673 -0.001 0.50 80
3 1 2 1 1 0 63.040 -0.003 2.34 80
3 2 2 2 2 0 31.458 -0.003 1.40 80
3 1 2 2 1 2 47.439 0.001 4.75 80
3 2 2 2 0 2 47.712 0.003 0.51 80
3 O 3 1 0 1 47.286 -0.001 2.51 80
3 1 3 1 1 1 46.832 -0.014 0.12 80
3 0 3 2 2 1 14.623 0.001 3.81 80
3 1 3 2 1 1 15.961 0.005 2.21 80
4 4 O 2 2 0 111.496 0.004 0.19 80
4 4 0 3 2 2 80.030 -0.002 0.55 80
4 4 0 4 2 2 17.181 0.004 4.09 80
4 3 1 2 1 1 109.618 0.014 0.02 80
4 4 1 2 2 1 112.643 0.002 1.09 80
4 3 1 3 3 1 59.977 0.003 2.26 80
4 4 1 3 2 1 66.986 0.000 7.84 80
4 3 1 3 1 3 93.656 0.008 0.10 80
4 4 1 3 0 3 98.025 0.007 1.00 80
4 3 1 4 1 3 30.237 -0.002 6.52 80
4 4 1 4 2 3 34.578 -0.001 8.41 80
4 4 1 5 0 5 19.771 0.002 0.10 80
4 2 2 ' 2 2 0 94.315 -0.001 2.18 80
4 3 2 2 1 2 111.184 0.006 0.62 80
4 3 2 3 3 0 47.223 0.002 2.93 80
4 2 2 3 2 2 62.855 0.000 2.87 80
4 3 2 3 1 2 63.740 -0.001 3.20 80
4 3 2 4 1 4 48.534 0.000 2.46 80
4 1 3 2 1 1 79.362 -0.004 0.51 80
4 2 3 2 2 1 78.063 0.002 2.92 80
4 1 3 3 3 1 29.731 -0.004 0.50 80
4 2 3 3 2 1 32.408 0.001 9.52 80
4 1 3 3 1 3 63.401 -0.008 0.49 80
4 2 3 3 0 3 63.442 0.003 3.20 80
4 1 4 2 1 2 62.645 0.000 0.51 80
4 1 4 3 1 2 15.210 ‘ 0.003 0.71 80
5 5 0 3 3 0 143.481 -0.001 5.83 80
5 5 0 3 1 2 160.010 0.009 0.25 80
5 5 0 4 3 2 . 96.261 0.001 4.94 80
5 5 0 4 1 4 144.805 0.011 0.67 80
5 5 O 5 3 2 18.401 0.000 5.59 80
5 5 0 5 1 4 65.545 0.000 0.05 80
5 4 1 3 2 1 140.865 0.002 0.67 80
5 5 1 3 3 1 144.661 0.002 1.92 80
5 4 1 3 0 3 171.901 0.006 0.20 80
5 5 1 3 1 3 178.335 0.001 0.05 80
5 4 1 4 4 1 73.876 -0.001 6.77 80
5 5 1 4 3 1 84.685 -0.001 4.16 80
5 4 1 4 2 3 108.455 -0.001 6.00 80

 

133

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

5 5 1 4 1 3 114.931 0.007 1.43 80
5 4 1 5 2 3 29.410 -0.002 8.04 80
5 5 1 5 3 3 35.746 -0.005 0.30 80
5 4 1 5 0 5 93.647 0.001 0.10 80
5 3 2 3 3 0 125.083 0.002 2.67 80
5 3 2 3 1 2 141.607 0.007 0.43 80
5 4 2 3 2 2 142.847 -0.002 0.27 80
5 4 2 4 4 0 62.820 0.003 0.80 80
5 3 2 4 3 2 77.860 0.000 8.87 80
5 4 2 4 2 2 79.993 -0.001 4.06 80
5 3 2 4 1 4 126.394 0.001 2.62 '80
5 3 2 5 1 4 47.142 -0.002 3.29 80
5 4 2 5 2 4 48.609 -0.007 0.02 80
5 2 3 3 2 1 111.451 0.000 5.50 80
5 3 3 3 3 1 108.910 0.002 0.02 80
5 2 3 3 0 3 142.486 0.003 0.57 80
5 3 3 3 1 3 142.589 0.007 0.08 80
5 2 3 4 4 1 44.467 0.002 7.93 80
5 3 3 4 3 1 48.932 -0.002 1.75 80
5 2 3 4 2 3 79.045 0.001 1.43 80
5 3 3 4 1 3 79.178 0.005 0.39 80
5 2 3 5 0 5 64.233 -0.001 5.18 80
5 1 4 3 1 2 94.463 0.007 0.10 80
5 1 4 4 3 2 30.717 0.001 1.00 80
5 2 4 4 2 2 31.383 0.005 0.08 80
5 1 4 4 1 4 79.247 -0.002 5.84 80
5 0 5 3 2 1 47.229 0.012 0.05 80
5 0 5 3 0 3 78.247 -0.002 2.31 80
5 0 5 4 2 3 14.811 0.001 1.09 80
6 6 0 4 4 0 175.464 -0.004 1.25 80
6 6 0 4 2 2 192.650 0.005 1.25 80
6 6 0 5 4 2 112.649 -0.002 2.15 80
6 6 0 6 4 2 20.309 -0.001 2.68 80
6 5 1 4 3 1 172.109 0.000 0.92 80
6 6 1 4 4 1 176.532 0.000 3.34 80
6 5 1 4 1 3 202.350 0.002 0.17 80
6 6 1 4 2 3 211.110 -0.002 1.35 80
6 5 1 5 5 1 87.427 0.004 2.53 80
6 6 1 5 4 1 102.654 -0.002 6.99 80
6 5 1 5 3 3 . 123.174 -0.001 0.64 80
6 6 1 5 2 3 132.066 -0.002 1.07 80
6 5 1 6 3 3 28.697 -0.001 2.39 80
6 6 1 6 4 3 37.186 -0.001 2.04 80
6 6 1 6 2 5 101.262 0.017 0.02 80
6 5 2 4 3 2 174.448 0.002 0.57 80
6 5 2 4 1 4 222.995 0.016 0.08 80
6 5 2 5 5 0 78.182 -0.003 2.45 80
6 4 2 5 4 2 92.340 -0.001 5.37 80
6 5 2 5 3 2 96.586 0.000 7.49 80

134

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ra Kc J Ka Kc (cm ) (cm )

6 4 2 5 2 4 140.962 0.006 0.05 80
6 5 2 5 1 4 143.728 -0.002 2.01 80
6 4 2 6 2 4 46.095 0.004 1.77 80
6 5 2 6 3 4 48.849 0.001 2.87 80
6 3 3 4 3 1 143.414 0.003 1.43 80
6 4 3 4 4 1 139.347 0.001 3.07 80
6 3 3 4 1 3 173.658 0.008 1.27 80
6 4 3 4 2 3 173.924 -0.001 5.50 80
6 3 3 5 5 1 58.727 0.002 1.46 80
6 4 3 5 4 1 65.469 0.000 11.05 80
6 3 3 5 3 3 94.475 -0.002 0.51 80
6 4 3 5 2 3 94.880 -0.001 10.11 80
6 4 3 5 0 5 159.116 0.001 0.92 80
6 3 3 6 1 5 63.751 -0.007 0.42 80
6 4 3 6 2 5 64.057 -0.002 3.20 80
6 3 3 7 1 7 49.442 0.005 0.02 80
6 4 3 7 0 7 49.742 0.004 0.25 80
6 2 4 4 2 2 126.245 0.002 0.17 80
6 3 4 4 3 2 125.599 0.001 5.12 80
6 3 4 4 1 4 174.132 0.001 2.26 80
6 2 4 5 4 2 46.249 0.000 0.10 80
6 3 4 5 3 2 47.740 0.002 5.71 80
6 2 4 5 2 4 94.866 0.001 0.24 80
6 3 4 5 1 4 94.882 0.000 1.10 80
6 3 4 6 1 6 80.313 -0.001 0.51 80
6 2 5 4 2 '3 109.869 0.003 0.48 80
6 2 5 5 2 3 30.825 0.003 5.56 80
6 2 5 5 0 5 95.055 -0.001 10.77 80
6 1 6 4 1 4 93.818 0.000 6.41 80
6 1 6 5 1 4 14.569 0.001 7.18 80
7 7 0 5 5 0 207.342 -0.003 5.12 80
7 7 0 5 3 2 225.746 0.000 2.09 80
7 7 0 6 5 2 129.160 0.000 2.64 80
7 7 0 6 3 4 178.005 -0.003 0.08 80
7 7 O 7 5 2 22.926 0.002 5.91 80
7 6 1 5 4 1 203.362 -0.005 0.51 80
7 7 1 5 5 1 208.208 -0.002 2.06 80
7 6 1 5 2 3 232.775 -0.004 0.10 80
7 7 1 5 3 3 243.951 -0.011 0.02 80
7 6 1 6 6 1 100.712 0.000 1.39 80
7 7 1 6 5 1 120.785 -0.002 1.86 80
7 6 1 6 4 3 137.896 -0.003 2.12 80
7 7 1 6 3 3 149.484 -0.001 0.47 80
7 6 1 7 4 3 28.298 0.000 3.78 80
7 7 1 7 5 3 38.857 -0.001 0.05 80
7 6 1 7 2 5 91.358 -0.001 0.10 80
7 5 2 5 5 0 184.423 0.002 0.08 80
7 5 2 5 3 2 202.826 0.005 0.82 80
7 6 2 5 4 2 205.946 -0.002 0.10 80

 

 

135

 

 

UPPER. LOWER OBSERVED OBS-CALC WEIGHT 130
-1 -1

J K.a Kc J Ka Kc (cm ) (cm )

7 5 2 5 1 4 249.968 0.002 0.08 80
7 6 2 6 6 0 93.297 0.001 0.10 80
7 5 2 6 5 2 106.236 0.000 4.40 80
7 6 2 6 4 2 113.610 0.003 0.20 80
7 5 2 6 3 4 155.086 0.003 ‘ 1.82 80
7 5 2 7 3 4 44.742 0.000 5.36 80
7 4 3 5 4 1 175.066 -0.003 2.18 80
7 5 3 S 5 1 169.359 0.007 0.12 80
7 4 3 5 2 3 204.480 -0.001 1.36 80
7 5 3 5 3 3 205.110 0.006 0.20 80
7 4 3 5 0 5 268.719 0.004 0.41 80
7 4 3 6 6 1 72.418 0.005 1.02 80
7 5 3 6 5 1 81.935 .0.006 0.23 80
7 4 3 6 4 3 109.598 -0.002 4.12 80
7 5 3 6 3 3 110.628 0.001 0.55 80
7 4 3 6 2 5 173.659 0.000 1.92 80
7 5 3 6 1 5 174.382 -0.003 1.25 80
7 4 3 7 2 5 63.062 0.002 5.43 80
7 5 3 7 3 5 63.780 -0.004 0.53 80
7 5 3 7 1 7 160.075 0.011 0.08 80
7 4 3 . 8 2 7 32.740 0.002 0.02 80
7 3 4 5 5 0 139.688 0.009 0.02 80
7 3 4 5 3 2 158.079 0.000 5.21 80
7 3 4 5 1 4 205.221 -0.003 2.03 80
7 4 4 5 2 4 205.279 0.007 0.08 80
7 3 4 6 5 2 61.493 -0.001 5.66 80
7 4 4 6 4 .2 64.318 0.002 0.60 80
7 3 4 6 3 4 110.344 0.002 0.94 80
7 4 4 6 2 4 110.411 0.004 0.82 80
7 3 4 6 1 6 190.657 0.002 0.34 80
7 3 4 7 1 6 79.815 0.000 1.15 80
7 3 5 5 5 1 105.570 0.002 0.02 80
7 2 5 5 2 3 141.431 0.010 0.41 80
7 2 5 6 6 1 9.339 -0.014 0.02 80
7 2 5 6 4 3 46.544 0.004 0.55 80
7 3 5 6 3 3 46.852 0.009 0.25 80
7 2 5 6 2 5 110.602 0.004 1.31 80
7 3 5 6 1 5 110.603 0.003 0.41 80
7 2 5 7 0 7 96.279 0.001 2.79 80
7 1 6 5 1 4 125.407 -0.001 0.47 80
7 1 6 6 3 4 30.528 0.002 0.64 80
7 1 6 6 1 6 110.841 0.001 3.79 80
7 0 7 5 0 5 109.375 -0.002 2.43 80
7 0 7 6 2 5 14.320 0.000 7.41 80
8 8 0 6 6 0 238.991 -0.003 2.00 80
8 8 0 7 6 2 145.688 -0.009 0.10 80
8 8 0 8 6 2 26.162 0.000 1.03 80
8 8 1 6 6 1 239.640 0.000 2.54 80
8 8 1 6 4 3 276.825 -0.002 0.19 80

 

136

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
. -1 -1

J Ka Kc J Ka Kc (cm ) (cm )

8 8 1 7 6 1 138.928 0.000 1.11 80 '
8 7 1 7 5 3 152.741 0.004 2.50 80
8 8 1 7 4 3 167.228 0.001 0.48 80
8 7 1 8 5 3 28.462 0.000 2.18 80
8 8 1 8 6 3 40.715' 0.004 0.78 80
8 6 2 6 4 2 233.138 -0.004 1.25 80
8 7 2 6 5 2 237.329. -0.001 0.12 80
8 6 2 6 2 4 279.242 0.009 0.41 80
8 7 2 6 3 4 286.186 0.008 0.25 80
8 7 2 7 7 0 108.169 -0.001 0.08 80
8 6 2 7 6 2 119.524 -0.011 0.10 80
8 7 2 7 5 2 131.090 -0.005 0.47 80
8 7 2 7 3 4 175.829 70.008 0.12 80
8 6 2 8 4 4 43.192 0.000 2.42 80
8 7 2 8 5 4 50.002 0.000 5.30 80
8 7 2 8 3 6 129.358 -0.005 0.05 80
8 6 3 6 6 1 198.918 -0.011 0.05 80
8 5 3 6 3 3 234.916 0.015 0.01 80
8 6 3 6 4 3 236.114 -0.001 0.76 80
8 5 3 6 1 5 298.658 -0.001 0.01 80
8 6 3 6 2 5 300.167 -0.007 0.08 80
8 6 3 7 6 1 98.216 -0.001 1.00 80
8 5 3 7 5 3 124.275 0.001 0.69 80
8 6 3 7 4 3 126.511 -0.004 3.06 80
8 5 3 7 3 5 188.054 -0.004 0.08 80
8 6 3 7 2 5 189.575 -0.001 2.07 80
8 5 3 8 3 5 62.057 0.002 1.75 80
8 6 3 8 4 5 63.561 -0.001 3.25 80
8 4 4 6 4 2 189.951 0.002 0.85 80
8 5 4 6 5 2 187.326 -0.002 2.04 80
8 4 4 6 2 4 236.048 0.007 0.69 80
8 5 4 6 3 4 236.175 -0.001 1.28 80
8 5 4 6 1 6 316.488 -0.002 0.10 80
8 4 4 7 6 2 76.340 -0.003 0.10 80
8 5 4 7 5 2 81.094 0.001 6.37 80
8 4 4 7 4 4 125.630 -0.004 0.25 80
8 5 4 7 3 4 125.836 0.001 5.41 80
8 5 4 7 1 6 205.653 0.003 0.67 80
8 5 4 8 3 6 79.361 0.000 2.78 80
8 4 5 6 6 1 135.364 -0.003 0.02 80
8 3 5 6 3 3 172.847 0.001 0.08 80
8 4 5 6 4 3 172.554 0.000 5.09 80
8 3 5 6 1 5 236.598 -0.006 0.10 80
8 4 5 6 2 5 236.614 0.002 2.32 80
8 3 5 7 5 3 62.217 -0.002 1.35 80
8 4 5 7 4 3 62.957 0.003 2.43 80
8 3 5 7 3 5 125.999 -0.005 0.20 80
8 4 5 7 2 5 126.014 0.000 4.94 80
8 4 5 7 0 7 222.291 —0.001 1.68 80

137

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Kch (cm ) (cm )

8 4 5 8 2 7 95.691 0.000 2.43 80
8 4 5 9 O 9 81.854 0.013 0.02 '80
8 3 6 6 3 4 156.818 0.003 0.58 80
8 3 6 6 1 6 237.130 0.001 0.60 80
8 3 6 7 5 2 1.728 -0.004 0.10 80
8 3 6 7 3 4 46.475 0.001 1.10 80
8 3 6 7 1 6 126.290 0.001 5.59 80
8 3 6 8 1 8 112.209 0.002 2.93 80
8 2 7 6 6 1 39.660 -0.016 0.01 80
8 2 7 6 4 3 76.844 -0.018 0.02 80
8 2 7 6 2 5 140.921 0.000 5.46 80
8 2 7 7 2 5 30.321 -0.002 0.85 80
8 2 7 7 0 7 126.602 0.002 5.87 80
8 1 8 6 1 6 124.924 0.002 5.52 80
8 1 8 7 1 6 14.085 0.003 2.20 80
9 9 0 7 7 0 270.317 0.000 0.48 80
9 9 0 7 5 2 293.243 0.002 0.48 80
9 8 1 7 6 1 266.005 -0.004 0.53 80
9 9 1 7 7 1 270.781 . 0.010 0.10 80
9 8 1 7 4 3 294.307 0.000 0.41 80
9 8 1 8 8 1 127.074 -0.007 1.13 80
9 8 1 8 6 3 167.792 0.000 5.27 80
9 8 1 9 6 3 ° 29.443 0.000 2.43 80
9 7 2 7 5 2 263.373 -0.001 0.41 80
9 7 2 7 3 4 308.109 -0.007 0.19 80
9 8 2 _8 8 0 122.870 0.003 0.48 80
9 7 2 8 7 2 132.276 -0.003 2.01 80
9 8 2 8 6 2 149.032 0.002 0.60 80
9 7 2 8 5 4 182.276 -0.005 0.10 80
9 8 2 8 4 4 192.222 0.000 0.10 80
9 7 2 9 5 4 41.610 -0.001 2.42 80
9 8 2 9 6 4 51.026 -0.001 0.10 80
9 6 3 7 6 1 236.562 -0.004 0.53 80
9 6 3 7 4 3 264.862 -0.002 0.60 80
9 6 3 7 2 5 327.919 -0.006 0.42 80
9 6 3 8 8 1 97.635 -0.003 0.33 80
9 6 3 8 6 3 138.351 0.002 0.62 80
9 7 3 8 5 3 142.677 -0.008 0.15 80
9 6 3 8 4 5 201.911 0.000 0.91 80
9 7 3 8 3 5 204.729 -0.010 0.17 80
9 6 3 9 4 5 60.662 0.000 6.75 80
9 7 3 9 5 5 63.450 -0.003 1.29 80
9 6 3 9 2 7 155.662 0.001 0.41 80
9 5 4 7 5 2 221.762 0.000 0.73 80
9 5 4 7 3 4 266.504 0.000 0.80 80
9 5 4 7 1 6 346.326 0.006 0.67 80
9 5 4 8 7 2 90.668 0.000 0.60 80
9 6 4 8 6 2 98.003 0.000 1.25 80
9 5 4 8 5 4 140.671 0.001 1.82 80

 

 

138

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka KC (cm ) (cm )

9 6 4 8 4 4 141.196 0.001 2.09 80
9 5 4 8 3 6 220.027 -0.004 1.67 80
9 5 4 9 3 6 78.441 0.000 5.22 80
9 6 4 9 4 6 78.815 -0.001 3.25 80
9 4 5 7 4 3 204.203 0.000 0.34 80
9 4 5 7 2 5 267.259 -0.004 0.48 80
9 5 5 7 3 5 267.294 0.004 0.01 80
9 4 5 7 0 7 363.548 0.007 0.23 80
9 4 5 8 6 3 77.686 -0.001 1.50 80
9 5 5 8 5 3 79.244 0.013 0.05 80
9 4 5 8 4 5 141.248 -0.001 2.84 80
9 5 5 8 3 5 141.292 0.006 0.10 80
9 4 5 8 2 7 236.941 0.001 0.50 80
9 4 5 9 2 7 95.002 0.003 2.18 80
9 4 5 9 0 9 223.094 0.004 0.02 80
9 4 5 10 2 9 65.023 -0.020 -0.02 80
9 3 6 7 3 4 188.065 0.002 0.51 80
9 3 6 7 1 6 267.879 0.001 2.18 80
9 3 6 8 5 4 62.230 0.002 0.26 80
9 3 6 8 3 6 141.589 0.000 4.13 80
9 3 6 8 1 8 253.794 -0.002 2.93 80
9 3 6 9 1 8 111.460 0.000 3.53 80
9 2 7 7 2 5 172.263 -0.001 5.50 80
9 2 7 7 0 7 268.542 0.000 2.26 80
9 2 7 8 4 5 46.253 0.003 2.71 80
9 2 7 8 2 7 141.941 0.000 1.45 80
9 2 7 9 0 9 128.092 0.001 2.54 80
9 1 8 7 1 6 156.418 -0.001 5.02 80
9 1 8 8 3 6 30.131 0.001 1.50 80
9 1 8 8 1 8 142.338~ 0.001 1.85 80
9 0 9 7 2 5 44.165 -0.008 0.02 80
9 0 9 7 0 7 140.450 -0.001 5.12 80
9 0 9 8 2 7 13.852 0.001 0.98 80
10 10 1 8 8 1 301.558 -0.001 0.48 80
10 10 1 9 8 1 174.483 0.005 0.08 80
10 9 1 9 7 3 183.130 -0.001 0.48 80
10 8 2 9 6 4 195.577 -0.005 0.41 80
10 8 2 10 6 4 40.241 0.001 0.51 80
10 8 2 10 4 6 117.669 -0.003 0.41 80
10 8 3 9 6 3 159.285 0.003 0.48 80
10 8 3 9 4 5 219.947 0.003 0.48 80
10 7 3 10 5 5 58.849 -0.002 0.10 80
10 6 4 8 4 4 296.524 -0.013 0.02 80
10 7 4 9 7 2 114.945 0.003 1.25 80
10 6 4 9 6 4 155.358 0.016 0.02 80
10 7 4 9 5 4 156.555 0.001 2.00 80
10 6 4 10 4 6 77.430 -0.002 0.08 80
10 7 4 10 5 6 78.264 0.002 2.01 80
10 6 5 8 6 3 0.001 0.10 80

234.103

139

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J K.a Kc J Ka Kc (cm ) (cm )
10 6 5 8 4 5 297.667 0.004 0.12 80
10 6 5 8 2 7 393.349 -0.006 1.25 80
10 6 5 9 6 3 95.748 -0.005 0.33 80
10 5 5 9 S 5 156.312 0.009 0.05 80
10 6 5 9 4 5 156.415 0.001 0.62 80
10 6 5 9 2 7 251.411 -0.002 1.25 80
10 6 5 10 4 7 94.292 -0.001 0.75 80
10 6 5 10 2 9 221.448 -0.009 0.19 80
10 5 6 8 5 4 218.960 -0.001 0.48 80
10 5 6 8 3 6 298.321 -0.001 1.17 80
10 5 6 8 1 8 410.525 -0.004 0.85 80
10 4 6 9 6 4 77.911 0.001 0.48 80
10 5 6 9 5 _4 78.292 0.001 0.64 80
10 4 6 9 4 6 156.729 0.003 0.41 80
10 5 6 9 3 6 156.733 0.000 1.96 80
10 5 6 9 1 8 268.189 -0.003 1.32 80
10 5 6 10 3 8 110.635 -0.002 5.84 80
10 4 7 8 4 5 203.373 0.002 2.03 80
10 4 7 8 2 7 299:063 0.001 5.52 80
10 4 7 9 4 5 62.124 0.002 2.04 80
10 4 7 9 2 7 157.122 0.001 2.93 80
10 4 7 9 0 9 285.212 0.001 0.55 80
10 4 7 10 2 9 127.164 -0.001 2.62 80
10 3 8 8 3 6 187.683 -0.003 5.16 80
10 3 8 8 1 8 299.892 0.000 2.65 80
10 3 8 9 3 6 46.097 0.001 4.52 80
10 3 8 9 1 8 157.557 0.001 2.48 80
10 3 8 10 1 10 143.929 -0.001 0.55 80
10 2 9 8 4 5 76.224 0.018 0.02 80
10 2 9 8 2 7 171.898 0.001 0.55 80
10 2 9 9 2 7 29.954 -0.002 2.79 80
10 2 9 9 0 9 158.047 0.000 2.59 80
10 1 10 8 1 8 155.962 0.000 6.27 80
10 1 10 9 1 8 13.626 0.000 0.82 80
11 10 1 10 8 3 198.763 0.003 0.41 80
11 10 1 11 8 3 34.489 0.002 0.41 80
11 9 2 11 7 4 39.388 -0.004 0.48 80
11 8 3 10 8 3 164.273 0.000 1.35 80
11 8 3 11 6 5 56.684 -0.001 2.00 80
11 9 3 11 7 5 63.853 -0.008 0.08 80
11 7 4 10 7 4 169.504 0.004 0.10 80
11 7 4 10 5 6 247.768 0.005 0.10 80
11 7 4 11 5 6 76.081 -0.002 2.04 80
11 8 4 11 6 6 77.754 0.003 0.41 80
11 6 5 9 6 3 266.870 0.000 0.10 80
11 6 5 9 4 5 327.532 0.000 0.10 80
11 6 5 10 8 3 107.583 -0.005 0.16 80
11 7 5 10 7 3 112.564 0.003 0.00 80
11 6 5 10 6 5 -0.001 0.10 80

171.116

140

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
11 7 5 10 5 5 171.413 0.001 0.00 80
11 6 5 11 4 7 93.288 0.002 2.07 80
11 7 5 11 5 7 93.498 0.001 0.41 80
11 5 6 9 5 4 249.969 -0.002 0.10 80
11 5 6 9 3 6 328.411 -0.001 0.10 80
11 5 6 10 7 4 93.415 -0.002 0.10 80
11 5 6 10 5 6 171.679 0.000 0.33 80
11 5 6 10 3 8 282.320 0.004 0.10 80
11 5 6 11 3 8 109.718 0.001 2.00 80
.11 4 7 9 6 3 173.574 -0.010 0.25 80
11 4 7 9 4 5 234.247 0.001 1.60 80
11 4 7 9 2 7 329.246 0.001 2.12 80
11 4 7 9 0 9 457.322 -0.014 0.10 80
11 4 7 10 6 5 77.829 -0.002 1.16 80
11 4 7 10 4 .7 172.125' 0.001 3.37 80
11 4 7 10 2 9 299.282 -0.007 0.17 80
11 4 7 11 2 9 126.161 0.003 0.60 80
11 3 8 9 3 6 218.695 0.000 1.35 80
11 3 8 9 1 8 330.158 0.003 0.60 80
11 3 8 10 5 6 61.965 0.002 2.07 80
11 3 8 10 3 8 172.601 0.002 2.15 80
11 3 8 10 1 10 316.528 -0.001 0.02 80
11 3 8 11 1 10 142.803 0.003 0.92 80
11 2 9 9 2 7 203.085 -0.002 5.09 80
11 2 9 9 0 9 331.177 0.000 2.00 80
11 2 9 10 4 7 45.964 -0.002 2.48 80
11 2 9 10 2 9 173.131 0.000 3.92 80
11 2 9 11 0 11 159.722 -0.002 1.07 80
11 1 10 9 3 6 75.876 -0.019 0.41 80
11 1 10 9 1 8 187.355 0.000 5.43 80
11 1 10 10 3 8 29.799 0.000 1.10 80
11 1 10 10 1 10 173.730 0.001 1.32 80
11 0 11 9 0 9 171.455 0.001 5.43 80
11 0 11 10 2 9 13.408 0.001 0.41 80
12 12 1 12 10 3 48.187 -0.003 0.05 80
12 7 6 . 12 5 8 108.763 0.006 0.48 80
12 6 7 10 6 5 264.777 0.002 0.17 80
12 6 7 10 4 7 359.069 0.001 0.08 80
12 6 7 11 6 5 93.662 0.004 0.05 80
12 6 7 11 4 7 186.951 0.008 0.08 80
12 6 7 12 4 9 125.076 -0.001 0.43 80
12 5 8 10 5 6 249.421 0.003 0.56 80
12 5 8 10 3 8 360.054 -0.001 0.89 80
12 5 8 11 5 6 77.740 0.002 0.55 80
12 5 8 11 3 8 187.455 0.000 1.12 80
12 5 8 11 1 10 330.250 -0.006 0.10 80
12 5 8 12 3 10 141.591 -0.001 1.15 80
12 4 9 10 4 7 233.996 0.005 2.06 80
12 4 9 10 2 9 361.160 0.004 1.35 80

141

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
12 4 9 11 4 7 61.870 0.003 0.10 80
12 4 9 11 2 9 188.032 0.007 1.25 80
12 4 9 12 2 11 158.370 0.003 0.73 80
12 3 10 10 3 8 218.461 -0.002 5.08 80
12 3 10 10 1 10 362.394 0.001 0.20 80
12 3 10 11 3 8 45.864 0.000 0.30 80
12 3 10 11 1 10 188.666 0.002 0.73 80
12 2 11 10 2 9 202.791 0.002 2.12 80
12 2 11 11 2 9 29.658 0.000 0.53 80
12 2 11 11 0 11 189.382 0.000 0.34 80
12 1 12 10 1 10 186.923 0.000 6.25 80
13 6 7 12 8 5 108.886 -0.003 0.41 80
13 5 8 12 7 6 93.351 -0.003 2:00 80
13 5 8 12 5 8 202.114 0.003 0.41 80
13 4 9 --11 4 7 264.579 -0.008 0.10 80
13 4 9 11 2 9 390.747 0.002 1.35 80
13 4 9 13 2 11 156.930 -0.002 0.25 80
13 3 10 11 3 8 249.254 -0.007 0.91 80
13 3 10 11 1 10 392.055 -0.006 0.75 80
13 3 10 12 5 8 61.803 -0.002 0.20 80
13 3 10 12 3 10 203.397 0.000 0.16 80
13 3 10 13 1 12 173.850 -0.013 0.01 80
13 2 11 11 2 9 233.814 0.001 2.12 80
13 2 11 11 0 11 393.536 -0.001 0.66 80
13 2 11 12 4 9 45.790 0.002 0.48 80
13 2 11 12 2 11 204.156 0.001 0.71 80
13 2 11 13 0 13 191.170 0.002 0.08 80
13 1 12 11 1 10 218.201 0.003 2.03 80
13 1 12 12 3 10 29.535 0.002 0.02 80
13 0 13 11 0 11 202.368 -0.001 5.09 80
13 0 13 12 2 11 12.991 0.004 0.10 80
14 5 10 12 5 8 279.728 0.005 0.08 80
14 5 10 12 3 10 421.315 0.001 0.10 80
14 4 11 12 4 9 264.497 -0.004 0.50 80
14 4 11 12 2 11 422.869 0.001 0.48 80
14 4 11 13 2 11 218.706 -0.007 0.08 80
14 3 12 12 3 10 249.131 -0.004 0.50 80
14 3 12 12 1 12 424.607 0.002 0.06 80
14 2 13 12 2 11 233.578 -0.002 2.09 80
14 2 13 13 2 11 29.426 0.001 0.02 80
14 2 13 13 0 13 220.588 -0.005 0.10 80
14 1 14 12 1 12 217.789 0.001 2.10 80
15 3 12 13 3 10 279.710 0.000 0.10 80
15 2 13 13 2 11 264.425 -0.002 0.34 80
15 2 13 13 0 13 455.596 0.001 0.08 80
15 1 14 13 1 12 248.936 0.003 0.76 80
15 1 14 14 3 12 29.332 0.000 0.10 80
15 0 15 13 0 13 233:177 -0.004 0.17 80
15 0 15 14 2 13 12.588 0.000 0.10 80

142

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1‘
J Ka Kc J Ka Kc (cm. ) (cm )
16 4 13 14 4 11 294.882 -0.004 0.41 80
16 3 14 14 3 12 279.690 0.002 1.25 80
16 2 15 14 2 13 264.257 0.000 0.33 80
16 2 15 15 0 15 251.665 -0.004 0.05 80
16 1 16 ‘14 1 14 248.544 0.000 2.03 80
17 3 14 15 3 12 310.033 0.003 0.08 80
17 0 17 15 0 15 263.878 0.000 0.55 80
18 1 18 16 1 16 279.179 -0.001 0.25 80
2 1 1 1 1 1 30.906 0.016 0.08 82
2 2 1 1 0 1 32.642 -0.003 0.41 82
2 1 2 1 1 0 15.601 0.000 1.75 82
3 3 0 1 1 0 79.534 0.000 1.32 82
3 3 0 2 1 2 63.933 0.000 1.39 82
3 3 0 3 1 2 165508 0.002 1.32 82
3 3 1 1 1 1 80.495 0.012 0.08 82
3 3 1 2 1 1 49.591 -0.003 0.30 82
3 2 1 3 0 3 31.042 0.007 0.08 82
3 1 2 1 1 0 63.028 0.000 0.13 82
3 1 2 2 1 2 47.420 -0.007 0.16 82
3 0 3 1 0 1 47.269 -0.002 0.41 82
3 0 3 2 2 1 14.627 0.001 0.25 82
4 4 1 3 2 1 66.917 -0.010 0.08 82
4 3 1 4 1 3 30.243 -0.005 0.25 82
4 4 1 4 2 3 34.532 -0.009 0.34 82
4 2 2 2 2 0 94.302 0.004 0.10 82
4 3 2 3 3 0 47.210 0.000 1.35 82
4 2 2 3 2 2 62.837 -0.009 0.25 82
4 3 2 3 1 2 63.713 -0.004 1.25 82
4 1 3 3 3 1 29.748 0.005 0.01 82
4 2 3 3 2 1 32.386 0.000 1.06 82
4 2 3 3 0 3 63.419 -0.002 0.21 82
4 1 4 2 1 2 62.631 0.004 0.08 82
5 5 0 3 3 0 143.416 -0.002 0.15 82
5 5 0 4 3 2 96.203 -0.005 0.10 82
5 5 0 5 3 2 18.349 -0.001 0.60 82
5 4 1 4 4 1 73.916 0.008 0.41 82
5 5 1 4 3 1 84.595 -0.004 0.10 82
5 4 1 4 2 3 108.449 0.000 0.42 82
5 4 1 5 2 3 29.423 -0.002 1.25 82
5 3 2 3 3 0 125.073 0.005 0.10 82
5 3 2 4 3 2 77.856 -0.002 1.35 82
5 4 2 4 2 2 79.949 -0.008 0.10 82
5 3 2 5 1 4 47.144 -0.004 0.41 82
5 2 3 3 2 1 111.410 0.000 0.50 82
5 3 3 3 3 1 108.888 -0.005 0.05 82
5 2 3 4 4 1 44.493 0.010 0.50 82
5 2 3 4 2 3 79.025 0.001 0.92 82
5 2 3 5 0 5 64.228 0.009 0.13 82
5 1 4 4 3 2 30.712 -0.002 0.41 82

143

 

 

UPPER. LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )

5 1 4 4 1 4 79.233 0.006 0.48 82
5 0 5 3 0 3 78.224 -0.002 2.42 82
5 0 5 4 2 3 14.810 0.005 0.21 82
6 6 0 4 4 0 175.384 0.001 0.08 82
6 5 1 4 3 1 172.066 -0.003 0.01 82
6 6 1 5 4 1 102.530 -0.008 0.67 82
6 5 1 6 3 3 28.709 -0.001 0.24 82
6 6 1 6 4 3 37.103 -0.008 0.08 82
6 5 2 5 5 0 78.178 -0.001 2.00 82
6 4 2 5 4 2 92.348 -0.003 0.25 82
6 5 2 5 3 2 96.530 0.001 0.89 82
6 4 2 6 2 4 46.100 -0.008 0.25 82
6 5 2 6 3 4 48.836 0.014 0.01 82
6 3 3 4 3 1 143.355 -0.004 0.02 82
6 4 3 4 4 1 139.347 0.013 0.41 82
6 4 3 4 2 3 173.880 0.005 0.41 82
6 4 3 5 4 1 65.431 0.005 1.38 82
6 4 3 5 2 3 94.854 0.003 1.32 82
6 3 4 4 3 2 125.564 -0.001 0.41 82
6 3 4 5 3 2 47.708 0.001 0.41 82
6 3 4 5 1 4 94.852 -0.003 0.25 82
6 2 5 4 2 3 109.838 0.004 0.10 82
6 2 5 5 0 5 95.027 -0.002 1.72 82
6 1 6 4 1 4 93.790 0.000 3.25 82
6 1 6 5 1 4 14.557 -0.007 0.41 82
7 7 0 5 5 0 207.239 0.001 0.48 82
7 7 0 5 3 2 225.589 0.001 0.25 82
7 7 0 6 5 2 129.061 0.002 0.41 82
7 7 0 7 5 2 22.801 0.003 0.10 82
7 6 1 7 4 3 28.311 0.009 0.41 82
7 5 2 6 5 2 106.257 -0.005 0.20 82
7 5 2 7 3 4 44.774 0.003 2.00 82
7 4 3 5 4 1 175.008 -0.002 0.08 82
7 4 3 5 2 3 204.425 -0.010 0.08 82
7 4 3 5 0 5 268.653 -0.001 0.06 82
7 4 3 6 4 3 109.582 -0.002 0.10 82
7 3 4 5 3 2 158.021 0.002 2.00 82
7 3 4 5 1 4 205.159 -0.008 0.02 82
7 3 4 6 5 2 61.489 -0.001 0.41 82
7 4 4 6 4 2 64.272 0.004 0.08 82
7 4 4 6 2 4 . 110.372 -0.004 0.08 82
7 3 4 6 1 6 190.610 0.007 0.05 82
7 3 4 7 1 6 79.802 0.006 0.33 82
7 2 5 5 2 3 141.397 0.020 0.05 82
7 2 5 6 4 3 46.543 0.017 0.05 82
7 1 6 5 1 4 125.377 .0.006 0.10 82
7 1 6 6 3 4 30.526 0.010 0.02 82
7 1 6 6 1 6 110.810 0.003 0.17 82
7 0 7 5 0 5 109.344 -0.002 0.48 82

144

 

 

UPPER LOWER OBSERVED OBS-CALC WEIGHT ISO
-1 -1
J Ka Kc J Ka Kc (cm ) (cm )
7 0 7 6 2 5 14.316 -0.001 1.50 82
8 7 1 7 5 3 152.709 -0.001 0.05 82
8 6 2 8 4 4 43.233 0.001 0.08 82
8 7 2 8 5 4 49.954 0.001 0.08 82
8 6 3 6 2 5 300.083 -0.002 0.41 82
8 6 3 7 4 3 126.466 0.005 0.10 82
8 5 4 6 5 2 187.286 -0.002 0.41 82
8 5 4 7 5 2 81.028 0.001 0.55 82
8 5 4 7 3 4 125.801 0.003 0.41 82
8 5 4 8 3 6 79.345 0.003 0.48 82
8 4 5 6 4 3 172.498 -0.006 0.10 82
8 4 5 7 2 5 125.971- -0.007 0.10 82
8 3 6 6 1 6 237.059 -0.001 0.08 82
8 3 6 7 3 4 46.451 -0.005 0.50 82
8 3 6 '7 1 6 126.253 0.001 0.80 82
8 3 6 8 1 8 112.174 0.002 0.10 82
8 2 7 6 2 5 140.878 -0.002 2.00 82
8 2 7 7 0 7 126.562 -0.001 2.00 82
8 1 8 6 1 6 124.890 0.002 5.02 82
8 1 8 7 1 6 14.085 0.005 0.10 82
9 7 2 9 5 4 41.653 0.000 1.25 82
9 6 3 9 4 5 60.690 0.004 0.48 82
9 7 3 9 5 5 63.416 -0.009 0.05 82
9 5 4 9 3 6 78.430 0.000 0.08 82
9 4 5 8 4 5 141.207 -0.003 0.41 82
9 4 5 8 2 7 236.889 0.014 0.02 82
9 4 5 9 2 7 94.955 -0.020 0.02 82
9 3 6 8 5 4 62.205 -0.003 0.10 82
9 3 6 8 3 6 141.549 -0.001 0.10 82
9 3 6 8 1 8 253.725 0.003 0.02 82
9 3 6 9 1 8 111.429 0.001 0.48 82
9 2 7 7 2 5 172.212 -0.001 0.48 82
9 2 7 7 0 7 268.454 -0.009 0.08 82
9 2 7 8 4 5 46.241 0.006 0.08 82
9 2 7 8 2 7 141.910 0.010 0.32 82
9 1 8 7 1 6 156.375 0.001 2.00 82
9 1 8 8 1 8 142.292 -0.001 0.01 82
9 0 9 7 0 7 140.411 -0.004 5.00 82
10 7 4 10 5 6 78.250 0.012 0.05 82
10 5 6 9 5 4 78.259 -0.001 0.05 82
10 5 6 9 3 6 156.689 -0.002 0.08 82
10 5 6 10 3 8 110.610 0.002 0.20 82
10 4 7 8 2 7 298.977 -0.001 0.25 82
10 4 7 9 4 5 62.107 0.004 0.10 82
10 4 7 9 2 7 157.064 -0.014 0.25 82
10 4 7 10 2 9 127.118 -0.011 0.02 82
10 3 8 8 3 6 187.633 0.001 0.48 82
10 3 8 8 1 8 299.805 0.000 0.33 82
10 3 8 9 3 6 46.080 -0.003 0.02 82

145

 

 

UPPER LOWER OBSERVED OB S-CALC WEIGHT ISO
-1 -1

J Ka Kc J Ka Kc (cm ) (cm )
10 3 8 9 1 8 157.492 -0.019 .0.10 82
10 2 9 9 2 7 29.948 -0.001 0.25 82
10 2 9 9 0 9 158.000 0.003 0.10 82
10 1 10 8 1 8 155.926 0.003 5.00 82
11 4 7 11 2 9 126.122 -0.007 0.01 82
11 3 8 10 5 6 61.955 0.005 0.48 82
11 3 8 10 3 8 172.558 0.000 0.08 82
11 3 8 11 1 10 142.772 0.006 0.01 82
11 2 9 9 2 7 203.035 0.002 0.25 82
11 2 9 10 4 7 45.951 -0.004 0.08 82
11 2 9 10 2 9 173.086 0.002 0.27 82
11 1 10 9 1 8 187.305 0.002 0.48 82
11 1 10 10 3 8 29.813 0.021 0.08 82
11 0 11 9 0 9 171.406 -0.003 2.00 82
12 3 10 10 1 10 362.286 -0.007 0.02 82
12 2 11 10 2 9 202.731 0.000 0.41 82
12 1 12 10 1 10 186.867 0.000 2.06 82

 

0000000

00000

15

25

APPENDIX F

SUBROUTINE CONVERT

SUBROUTINE CONVERT(PAR,IFREP,HAM,JBAND)
THIS SUBROUTINE CONVERTS MOLECULAR VIBRATIONFROTATION CONSTANTS
BELONGING TO A REDUCED HAMILITONIAN (E.G. WATSONS 0R TYPKES)
AND CALCULATES THE DETERMINABLE COEFFICIENTS DEFINED BY WATSON,
WHICH ARE INDEPENDENT OF WHICH REDUCTION OF THE HAMILTONIAN IS
USED. IF THE I-R ROTATIONAL REPRESENTATION WAS USED, THE
COEFFICIENTS ARE CYCLICALLY PERMUTED TO CORRESPOND TO THE
COEFFICIENTS OBTAINED IN THE III-R REPRESENTATION.
DIMENSION C(19),D(15),PAR(24)
PAR IS AN ARRAY CONTAINING THE REDUCED HAMILTONIAN CONSTANTS.
C IS AN ARRAY CONTAINING THE CARTESIAN COEFFICIENTS CALCULATED
FROM THE REDUCED COEFFICIENTS USING THE FORMULAS DERIVED BY
W. F. MURPHY, J. MOLEC. SPECTROSC., 89, 561-565 (1981).
D IS AN ARRAY CONTAINING THE DETERMINABLE COEFFICIENTS.
TYPE INTEGER HAM
CALL NOBLANK
DO 15 I=1,15
D(I)=0.0
CONTINUE
D0 25 121,19
C(I)-0.0
CONTINUE
IF(HAM.EQ.3) GO TO 100
CARTESIAN COEFFICIENTS FROM TYPKES REDUCED COEFFICIENTS.
C(1)-PAR(1)
C(2)=PAR(2)
C(3)-PAR(3)
C(4)--PAR(4)-2*PAR(7)+2*PAR(8)
C(5)=—PAR(4)+2*PAR(7)+2*PAR(8)
C(6)=-PAR(4)-PAR(5)-PAR(6)
C(7)=-PAR(4)-6*PAR(8)
C(8)=-PAR(4)-0.5*PAR(5)-PAR(7)
146

100

200

147

C(9)=-PAR(4)-0.5*PAR(5)+PAR(7)
C(10)=PAR(9)+PAR(13)+0.5*PAR(14)+PAR(15)
C(11)=PAR(9)-PAR(13)+0.5*PAR(14)-PAR(15)
C(12)=PAR(9)+PAR(10)+PAR(1I)+PAR(12)
C(13)=1.5*PAR(9)+0.5*PAR(13)-1.25*PAR(14)-1.5*PAR(15)
C(14)=1.5*PAR(9)-0.5*PAR(13)-1.25*PAR(14)+1.5*PAR(15)
C(15)=1.5*PAR(9)+0.5*PAR(10)+PAR(13)+0.25*PAR(14)
C(16)=1.5*PAR(9)+PAR(10)+0.5*PAR(11)+0.5*PAR(13)
C(17)=1.5*PAR(9)+0.5*PAR(10)-PAR(13)+0.25*PAR(I4)
C(18)=1.5*PAR(9)+PAR(10)+0.5*PAR(11)-0.5*PAR(13)
C(19)=3*PAR(9)+PAR(10)-1.5*PAR(14)

GO TO 200

CONTINUE

CARTESIAN COEFFICIENTS FROM WATSONS REDUCED COEFFICIENTS.
C(1)=PAR(1)

C(2)=PAR(2)

C(3)=PAR(3)

C(4)=—PAR(4)-2*PAR(7)

C(5)=-PAR(4)+2*PAR(7)

C(6)=-PAR(4)-PAR(5)-PAR(6)

C(7)=-PAR(4) '
C(8)=-PAR(4)-0.5*PAR(5)-PAR(7)-PAR(8)
C(9)=-PAR(4)-0.5*PAR(5)+PAR(7)+PAR(8)
C(10)=PAR(9)+2*PAR(13)

C(11)=PAR(9)-2*PAR(13)
C(12)=PAR(9)+PAR(10)+PAR(11)+PAR(12)
C(13)=1.5*PAR(9)+PAR(13)

C(14)=1.5*PAR(9)-PAR(13)
C(15)=1.5*PAR(9)+0.5*PAR(10)+2*PAR(13)+PAR(14)
C(16)=1.5*PAR(9)+PAR(10)+0.5*PAR(11)+PAR(13)+PAR(14)+PAR(15)
C(17)=1.5*PAR(9)+0.5*PAR(10)-2*PAR(13)-PAR(14)
C(18)=1.5*PAR(9)+PAR(10)+0.5*PAR(11)-PAR(13)-PAR(14)-PAR(15)
C(19)=3*PAR(9)+PAR(10)

CONTINUE

IF (IFREP.EQ.1) GO TO 300

CALCULATION OF DETERMINABLE COEFFICIENTS IN THE III-R ROTATIONAL

148

REPRESENTATION (x=A, Y=B, AND z= C).
D(1)=C(1)-2*C(9)

D(2)=C(2)-2*C(8)

D(3)=C(3)-2*C(7)

D<4>=c<4>

D(5)=C(5)

D(6)=C(6)

D(7)=C(9)+C(8)+C(7)‘

D(8)=C(1)*C(9)+C(2)*C(8)+C(3)*C(7)

D(9)=C(10)

D(10)=C(11)

D(11)=C(12)
D(12)=3*(C(13)+c(14)+c(15)+0(16)+0(17)+c(18))+C(19)'
n<13>=<c<1>-c<3>>*c<13>+<c<1)-c<2>)*c<15>-2*<C(4>-c<7>>
1*<c<4)-c<8>> ‘
D<l4>=<c<2>-c<1>)*c<17)+<c12)-c<3)>¥C<14)-2*<c<5)-c<9>)
1*(c<5)-C(7>>
D(15>=<c<3>-C(2)>*c<16>+<c<3>—c<1>>*c<18>-2*<c<6)-c<8>>
1*<c<6>-c<9>>

GO TO 400

300 CONTINUE

DETERMINABLE COEFFICIENTS FROM REDUCED COEFFICIENTS FIT IN THE I-R
REPRESENTATION BY CYCLIC PERMUTATION OF THE CARTESIAN
COEFFICIENTS (X=B, Y=C, Z=A).

D(1)=C(3)-2*C(7)

D(2)=C(1)-2*C(9)

D(3)=C(2)-2*C(8)

D<4>=c<6)

D(5)=C(4)

D(6)=C(5)

D(7)=C(9)+C(8)+C(7)

D(8)=C(1)*C(9)+C(2)*C(8)+C(3)*C(7)

D(9)=C(12)

D(10)=C(10)

D(11)=C(11)
D(12)=3*(C(13)+C(14)+C(15)+C(16)+C(17)+C(18))+C(19)

149

D(13)=(C(3)-C(2))*C(16)+(C(3)-C(1))*C(18)-2*(C(6)-C(8))
1*(C(6)-C(9))
D(14)=(C(1)-C(3))*C(13)+(C(1)-C(2))*C(15)-2*(C(4)-C(7))
1*(C(4)-C(8))
D(15)=(C<2)-C(1))*C(17)+(C(2)-C(3))*C(14)-2*(C(5)-C(9))
1*(C(S)-C<7))
400 CONTINUE
PRINT 10
PRINT 20,JBAND
PRINT 30,(D(I),I=1,3)
PRINT 40,(D(I),I-4,8)
PRINT 50,(D(I),I=9,15)
10 FORMAT(*0 WATSONS DETERMINABLE COEFFICIENTS,CALCULATED USING
1 RELATIONS DEVELOPED BY W.F. MURPHY,J.M.S.,89,561 (1981).*)
20 FORMAT(*0*,A8,* STATE DETERMINABLE COEFFICIENTS*)
30 FORMAT(//* A = *,F15.9,/* B a *,F15.9,/* C = *,F15.9//)
40 FORMAT(//* TXX = *,1PE15.8,/* TYY - *,E15.8,/* Tzz = *,E15.8,
1 /* T1 = *,E15.8,/* T2 - *,E15.8//)
50 FORMAT(//* Hxxx a *,1PE15.8,/* HYYY = *,E15.8,/* szz = *,E15.8,

1 /* HI = *,E15.8,/* H2 = *,E15.8,/* H3 = *,E15.8,
2 /* H4 = *,E15.8)
RETURN

END

 

”11111111111111111111111111111111155
3 1293 03085 5997