---------------------------------------
optimized geometries at MP2/aug-cc-pVDZ
---------------------------------------

(An1 [1], RAHB, C1, NImag = 0, SCF Done = -265.060849392 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000121 0.000450 YES
 RMS Force            0.000026 0.000300 YES
 Maximum Displacement 0.001638 0.001800 YES
 RMS Displacement     0.000344 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.122694 (Hartree/Particle)
 Thermal correction to Energy=                           0.128447
 Thermal correction to Enthalpy=                         0.129392
 Thermal correction to Gibbs Free Energy=                0.093828
 Sum of electronic and zero-point Energies=           -265.857684
 Sum of electronic and thermal Energies=              -265.851931
 Sum of electronic and thermal Enthalpies=            -265.850987
 Sum of electronic and thermal Free Energies=         -265.886550
 
XYZ coordinates of optimized structure:
N         -2.115767   -0.021832   -0.133926
N         -0.069617   -1.190128   -0.024384
C         -0.737518   -0.078356    0.004034
C          1.481848    0.667948   -0.204744
C          1.362608   -0.844478    0.113773
C          0.079391    1.194299    0.157714
H         -2.588222   -0.906952    0.025539
H         -2.573408    0.774775    0.294434
H         -0.279726    2.007635   -0.491783
H          2.294531    1.165262    0.345449
H          1.965719   -1.471172   -0.560552
H          1.680923   -1.067848    1.148681
H          1.656265    0.803702   -1.283782
H          0.023634    1.541844    1.205517

(An1 dimer (C2) [1], RAHB, C2, NImag = 0, SCF Done = -530.133619384 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000010 0.001800 YES
 RMS Displacement     0.000003 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.246937 (Hartree/Particle)
 Thermal correction to Energy=                           0.259920
 Thermal correction to Enthalpy=                         0.260864
 Thermal correction to Gibbs Free Energy=                0.206577
 Sum of electronic and zero-point Energies=           -531.739997
 Sum of electronic and thermal Energies=              -531.727014
 Sum of electronic and thermal Enthalpies=            -531.726070
 Sum of electronic and thermal Free Energies=         -531.780357
 
XYZ coordinates of optimized structure:
N         -1.842866   -0.322647   -0.073634
N         -0.720017    1.743735   -0.221467
N          1.842866    0.322647   -0.073634
N          0.720017   -1.743735   -0.221467
C         -4.077054    0.439782    0.439040
C         -3.249609   -0.772899   -0.051745
C         -3.223010    1.626822   -0.040234
C         -1.842866    0.985579   -0.087934
C          4.077054   -0.439782    0.439040
C          3.249609    0.772899   -0.051745
C          3.223010   -1.626822   -0.040234
C          1.842866   -0.985579   -0.087934
H         -5.105691    0.449794    0.048629
H         -4.119016    0.433937    1.539929
H         -3.552869   -1.075984   -1.072002
H         -3.500541    1.953882   -1.058280
H         -3.355738   -1.653193    0.601538
H         -3.258772    2.506744    0.621471
H         -0.788798    2.727209    0.001112
H         -0.211610   -1.292672   -0.171455
H          5.105691   -0.449794    0.048629
H          4.119016   -0.433937    1.539929
H          3.552869    1.075984   -1.072002
H          3.500541   -1.953882   -1.058280
H          3.355738    1.653193    0.601538
H          3.258772   -2.506744    0.621471
H          0.788798   -2.727209    0.001112
H          0.211610    1.292672   -0.171455

(An1 dimer (C2), RAHB, C2, NImag = 0, SCF Done = -530.133619945 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000055 0.000450 YES
 RMS Force            0.000007 0.000300 YES
 Maximum Displacement 0.001162 0.001800 YES
 RMS Displacement     0.000356 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.246937 (Hartree/Particle)
 Thermal correction to Energy=                           0.259921
 Thermal correction to Enthalpy=                         0.260865
 Thermal correction to Gibbs Free Energy=                0.206568
 Sum of electronic and zero-point Energies=           -531.739997
 Sum of electronic and thermal Energies=              -531.727013
 Sum of electronic and thermal Enthalpies=            -531.726069
 Sum of electronic and thermal Free Energies=         -531.780365
 
XYZ coordinates of optimized structure:
N         -1.842542    0.322179   -0.073632
N         -0.719695   -1.744163   -0.221010
N          1.842542   -0.322179   -0.073632
N          0.719695    1.744163   -0.221010
C         -4.076818   -0.440235    0.438748
C         -3.249301    0.772398   -0.052068
C         -3.222681   -1.627319   -0.040207
C         -1.842542   -0.986074   -0.087776
C          4.076818    0.440235    0.438748
C          3.249301   -0.772398   -0.052068
C          3.222681    1.627319   -0.040207
C          1.842542    0.986074   -0.087776
H         -5.105382   -0.450308    0.048151
H         -4.118961   -0.434223    1.539624
H         -3.552397    1.075350   -1.072411
H         -3.500038   -1.954542   -1.058244
H         -3.355590    1.652755    0.601105
H         -3.258520   -2.507134    0.621637
H         -0.788425   -2.727618    0.001557
H         -0.211854    1.292957   -0.171109
H          5.105382    0.450308    0.048151
H          4.118961    0.434223    1.539624
H          3.552397   -1.075350   -1.072411
H          3.500038    1.954542   -1.058244
H          3.355590   -1.652755    0.601105
H          3.258520    2.507134    0.621637
H          0.788425    2.727618    0.001557
H          0.211854   -1.292957   -0.171109

(An1 dimer (Ci) [1], RAHB, CI, NImag = 0, SCF Done = -530.133723477 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000001 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000085 0.001800 YES
 RMS Displacement     0.000015 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.247064 (Hartree/Particle)
 Thermal correction to Energy=                           0.259964
 Thermal correction to Enthalpy=                         0.260909
 Thermal correction to Gibbs Free Energy=                0.206250
 Sum of electronic and zero-point Energies=           -531.739952
 Sum of electronic and thermal Energies=              -531.727052
 Sum of electronic and thermal Enthalpies=            -531.726108
 Sum of electronic and thermal Free Energies=         -531.780766
 
XYZ coordinates of optimized structure:
N         -1.613515    0.071352   -0.992768
N         -0.613889   -0.091928    1.763665
N          1.613515   -0.071352    0.992768
N          0.613889    0.091928   -1.763665
C         -1.288431   -0.139303    3.077099
C         -1.077230   -0.029296   -3.446188
C         -0.674210    0.019315   -1.978751
C         -0.263531    0.403926    4.102184
C          1.288431    0.139303   -3.077099
C          1.077230    0.029296    3.446188
C          0.674210   -0.019315    1.978751
C          0.263531   -0.403926   -4.102184
H         -2.546010   -0.243658   -1.224698
H         -2.216452    0.452933    3.047472
H         -1.891174   -0.746205   -3.638460
H         -1.566901   -1.185267    3.307622
H         -1.425486    0.972656   -3.754733
H         -1.311542   -0.002120   -0.004169
H         -0.394223   -0.016143    5.110688
H         -0.352455    1.500258    4.163835
H          2.546010    0.243658    1.224698
H          2.216452   -0.452933   -3.047472
H          1.891174    0.746205    3.638460
H          1.566901    1.185267   -3.307622
H          1.425486   -0.972656    3.754733
H          1.311542    0.002120    0.004169
H          0.394223    0.016143   -5.110688
H          0.352455   -1.500258   -4.163835

(An1 dimer (Ci), RAHB, CI, NImag = 0, SCF Done = -530.133346016 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000034 0.000450 YES
 RMS Force            0.000007 0.000300 YES
 Maximum Displacement 0.001402 0.001800 YES
 RMS Displacement     0.000402 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.246741 (Hartree/Particle)
 Thermal correction to Energy=                           0.259884
 Thermal correction to Enthalpy=                         0.260828
 Thermal correction to Gibbs Free Energy=                0.205181
 Sum of electronic and zero-point Energies=           -531.739978
 Sum of electronic and thermal Energies=              -531.726834
 Sum of electronic and thermal Enthalpies=            -531.725890
 Sum of electronic and thermal Free Energies=         -531.781537
 
XYZ coordinates of optimized structure:
N         -1.598386    0.039316   -0.990152
N         -0.624936   -0.045706    1.768310
N          1.598386   -0.039316    0.990152
N          0.624936    0.045706   -1.768310
C         -1.303222    0.113274    3.071250
C         -1.067806   -0.242508   -3.429244
C         -0.664163   -0.039362   -1.975546
C         -0.228752   -0.169039    4.149318
C          1.303222   -0.113274   -3.071250
C          1.067806    0.242508    3.429244
C          0.664163    0.039362    1.975546
C          0.228752    0.169039   -4.149318
H         -2.557854   -0.167866   -1.228334
H         -2.161744   -0.573449    3.137997
H         -1.950153    0.354167   -3.708542
H         -1.694421    1.144987    3.157003
H         -1.310563   -0.001234    0.004822
H         -1.308987   -1.308924   -3.589829
H         -0.403832    0.375387    5.089341
H         -0.202891   -1.248429    4.368198
H          2.557854    0.167866    1.228334
H          2.161744    0.573449   -3.137997
H          1.950153   -0.354167    3.708542
H          1.694421   -1.144987   -3.157003
H          1.310563    0.001234   -0.004822
H          1.308987    1.308924    3.589829
H          0.403832   -0.375387   -5.089341
H          0.202891    1.248429   -4.368198

(An1, RAHB, C1, NImag = 0, SCF Done = -265.061079378 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000003 0.001800 YES
 RMS Displacement     0.000001 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.122755 (Hartree/Particle)
 Thermal correction to Energy=                           0.128451
 Thermal correction to Enthalpy=                         0.129395
 Thermal correction to Gibbs Free Energy=                0.093959
 Sum of electronic and zero-point Energies=           -265.858061
 Sum of electronic and thermal Energies=              -265.852365
 Sum of electronic and thermal Enthalpies=            -265.851421
 Sum of electronic and thermal Free Energies=         -265.886857
 
XYZ coordinates of optimized structure:
N          2.123187   -0.023859    0.028593
N          0.072311   -1.187073   -0.053621
C         -1.484314    0.664671   -0.206013
C         -1.358052   -0.847424    0.109742
C         -0.085642    1.193137    0.165031
C          0.737818   -0.074081   -0.002191
H         -2.300819    1.157032    0.342880
H         -1.970254   -1.477587   -0.552826
H         -1.657619   -1.067701    1.151017
H         -1.656474    0.801253   -1.285557
H         -0.026460    1.524651    1.217077
H          2.572323   -0.897100   -0.233571
H          2.544829    0.796596   -0.393045
H          0.267129    2.021568   -0.470187

(An2 dimer (C2), RAHB, C2, NImag = 0, SCF Done = -527.736239484 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000095 0.001800 YES
 RMS Displacement     0.000029 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.196877 (Hartree/Particle)
 Thermal correction to Energy=                           0.209118
 Thermal correction to Enthalpy=                         0.210062
 Thermal correction to Gibbs Free Energy=                0.157219
 Sum of electronic and zero-point Energies=           -529.343527
 Sum of electronic and thermal Energies=              -529.331286
 Sum of electronic and thermal Enthalpies=            -529.330342
 Sum of electronic and thermal Free Energies=         -529.383185
 
XYZ coordinates of optimized structure:
N         -1.723253   -0.831102   -0.802701
N         -0.336452    1.794159   -0.062410
N          1.723253    0.831102   -0.802701
N          0.336452   -1.794159   -0.062410
C         -1.533517   -3.169588    0.119034
C         -1.086713   -1.924833   -0.241885
C         -0.757932    2.940504    0.397131
C         -0.336452   -3.959070    0.567972
C          1.533517    3.169588    0.119034
C          1.086713    1.924833   -0.241885
C          0.757932   -2.940504    0.397131
C          0.336452    3.959070    0.567972
H         -2.734629   -0.845215   -0.719679
H         -2.560589   -3.531648    0.085919
H         -1.815812    3.104908    0.622498
H         -1.306177    0.075110   -0.557382
H         -0.389903   -4.298572    1.619537
H         -0.128186   -4.854212   -0.048626
H          2.734629    0.845215   -0.719679
H          2.560589    3.531648    0.085919
H          1.815812   -3.104908    0.622498
H          1.306177   -0.075110   -0.557382
H          0.389903    4.298572    1.619537
H          0.128186    4.854212   -0.048626

(An2 dimer (Ci), RAHB, CI, NImag = 0, SCF Done = -527.736324020 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000011 0.001800 YES
 RMS Displacement     0.000003 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.196809 (Hartree/Particle)
 Thermal correction to Energy=                           0.209110
 Thermal correction to Enthalpy=                         0.210054
 Thermal correction to Gibbs Free Energy=                0.156253
 Sum of electronic and zero-point Energies=           -529.343374
 Sum of electronic and thermal Energies=              -529.331074
 Sum of electronic and thermal Enthalpies=            -529.330130
 Sum of electronic and thermal Free Energies=         -529.383930
 
XYZ coordinates of optimized structure:
N         -1.736201    0.227597   -1.003694
N         -0.528716   -0.196080    1.775457
N          1.736201   -0.227597    1.003694
N          0.528716    0.196080   -1.775457
C         -1.160639   -0.067590    2.910082
C         -1.092025   -0.178197   -3.404610
C         -0.872748    0.048163   -2.070493
C         -0.249203    0.177090    4.081859
C          1.160639    0.067590   -2.910082
C          1.092025    0.178197    3.404610
C          0.872748   -0.048163    2.070493
C          0.249203   -0.177090   -4.081859
H         -2.670114   -0.141239   -1.149432
H         -2.251698   -0.131607    2.959736
H         -2.054092   -0.323517   -3.894825
H         -1.341486   -0.005420   -0.085083
H         -0.505361    1.133842    4.574955
H         -0.371127   -0.618694    4.841077
H          2.670114    0.141239    1.149432
H          2.251698    0.131607   -2.959736
H          2.054092    0.323517    3.894825
H          1.341486    0.005420    0.085083
H          0.505361   -1.133842   -4.574955
H          0.371127    0.618694   -4.841077

(An2, RAHB, C1, NImag = 0, SCF Done = -263.865169526 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000003 0.001800 YES
 RMS Displacement     0.000001 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.097576 (Hartree/Particle)
 Thermal correction to Energy=                           0.102989
 Thermal correction to Enthalpy=                         0.103933
 Thermal correction to Gibbs Free Energy=                0.069228
 Sum of electronic and zero-point Energies=           -264.663409
 Sum of electronic and thermal Energies=              -264.657996
 Sum of electronic and thermal Enthalpies=            -264.657052
 Sum of electronic and thermal Free Energies=         -264.691757
 
XYZ coordinates of optimized structure:
N         -2.090728   -0.005534   -0.088356
N         -0.001172   -1.169299   -0.003519
C         -0.701719    0.082788   -0.004733
C          1.542253    0.612786    0.004519
C          1.269478   -0.869026    0.003401
C          0.141809    1.160169    0.006326
H         -2.588079    0.810164    0.255535
H         -2.447962   -0.869682    0.309930
H         -0.133942    2.214356    0.003896
H          2.136588    0.899870    0.891979
H          2.132287    0.900485   -0.885972
H          2.033487   -1.651671    0.010681

(An3 dimer (C2), RAHB, C2, NImag = 0, SCF Done = -527.764060286 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000018 0.001800 YES
 RMS Displacement     0.000005 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.198036 (Hartree/Particle)
 Thermal correction to Energy=                           0.210112
 Thermal correction to Enthalpy=                         0.211056
 Thermal correction to Gibbs Free Energy=                0.158881
 Sum of electronic and zero-point Energies=           -529.368646
 Sum of electronic and thermal Energies=              -529.356570
 Sum of electronic and thermal Enthalpies=            -529.355626
 Sum of electronic and thermal Free Energies=         -529.407801
 
XYZ coordinates of optimized structure:
N         -1.834990   -0.316864   -0.066962
N         -0.721474    1.765098   -0.293380
N          1.834990    0.316864   -0.066962
N          0.721474   -1.765098   -0.293380
C         -4.044490    0.532266    0.215214
C         -3.228435   -0.731877    0.116205
C         -3.187928    1.580133    0.089558
C         -1.834990    1.000861   -0.083507
C          4.044490   -0.532266    0.215214
C          3.228435    0.731877    0.116205
C          3.187928   -1.580133    0.089558
C          1.834990   -1.000861   -0.083507
H         -5.126424    0.577984    0.355742
H         -3.552752   -1.357471   -0.736193
H         -3.429066    2.645237    0.104340
H         -3.321549   -1.351691    1.027112
H         -0.780726    2.740439   -0.032180
H         -0.205786   -1.311744   -0.221253
H          5.126424   -0.577984    0.355742
H          3.552752    1.357471   -0.736193
H          3.429066   -2.645237    0.104340
H          3.321549    1.351691    1.027112
H          0.780726   -2.740439   -0.032180
H          0.205786    1.311744   -0.221253

(An3 dimer (Ci), RAHB, CI, NImag = 0, SCF Done = -527.764120299 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000041 0.001800 YES
 RMS Displacement     0.000009 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.198176 (Hartree/Particle)
 Thermal correction to Energy=                           0.210174
 Thermal correction to Enthalpy=                         0.211118
 Thermal correction to Gibbs Free Energy=                0.158487
 Sum of electronic and zero-point Energies=           -529.368693
 Sum of electronic and thermal Energies=              -529.356696
 Sum of electronic and thermal Enthalpies=            -529.355752
 Sum of electronic and thermal Free Energies=         -529.408382
 
XYZ coordinates of optimized structure:
N         -1.636229    0.127434   -0.994899
N         -0.610299   -0.114156    1.758638
N          1.636229   -0.127434    0.994899
N          0.610299    0.114156   -1.758638
C         -1.258603   -0.029612    3.070312
C         -1.024071   -0.115112   -3.410681
C         -0.686726    0.031580   -1.975340
C         -0.155107    0.120590    4.086856
C          1.258603    0.029612   -3.070312
C          1.024071    0.115112    3.410681
C          0.686726   -0.031580    1.975340
C          0.155107   -0.120590   -4.086856
H         -2.554933   -0.231735   -1.221203
H         -2.031601   -0.195743   -3.824416
H         -1.955065    0.828895    3.091283
H         -1.859451   -0.939317    3.255828
H         -1.328372    0.025509   -0.012204
H         -0.296285    0.209013    5.166049
H          2.554933    0.231735    1.221203
H          2.031601    0.195743    3.824416
H          1.955065   -0.828895   -3.091283
H          1.859451    0.939317   -3.255828
H          1.328372   -0.025509    0.012204
H          0.296285   -0.209013   -5.166049

(An3, RAHB, C1, NImag = 0, SCF Done = -263.875737784 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000044 0.000450 YES
 RMS Force            0.000011 0.000300 YES
 Maximum Displacement 0.001386 0.001800 YES
 RMS Displacement     0.000276 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.098220 (Hartree/Particle)
 Thermal correction to Energy=                           0.103497
 Thermal correction to Enthalpy=                         0.104441
 Thermal correction to Gibbs Free Energy=                0.069998
 Sum of electronic and zero-point Energies=           -264.672915
 Sum of electronic and thermal Energies=              -264.667638
 Sum of electronic and thermal Enthalpies=            -264.666694
 Sum of electronic and thermal Free Energies=         -264.701137
 
XYZ coordinates of optimized structure:
N         -2.080188   -0.004852   -0.084680
N         -0.002563   -1.152072    0.011247
C         -0.692854   -0.039391   -0.000948
C          1.430647    0.761192    0.003766
C          1.407158   -0.746898    0.004452
C          0.137261    1.184548   -0.004850
H         -2.521564    0.777498    0.387474
H         -2.515333   -0.897260    0.133786
H         -0.230511    2.212754   -0.021612
H          2.328002    1.383407   -0.000690
H          1.916298   -1.171242    0.888485
H          1.909097   -1.163398   -0.887926

(An4 dimer (C2), RAHB, C2, NImag = 0, SCF Done = -527.761188866 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000003 0.000450 YES
 RMS Force            0.000001 0.000300 YES
 Maximum Displacement 0.000765 0.001800 YES
 RMS Displacement     0.000223 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.197191 (Hartree/Particle)
 Thermal correction to Energy=                           0.209710
 Thermal correction to Enthalpy=                         0.210654
 Thermal correction to Gibbs Free Energy=                0.156517
 Sum of electronic and zero-point Energies=           -529.366192
 Sum of electronic and thermal Energies=              -529.353673
 Sum of electronic and thermal Enthalpies=            -529.352729
 Sum of electronic and thermal Free Energies=         -529.406866
 
XYZ coordinates of optimized structure:
N         -1.548771   -1.073840   -0.000269
N         -0.722445    1.713871   -0.000244
N          1.548771    1.073840   -0.000269
N          0.722445   -1.713871   -0.000244
C         -1.401135    2.966543   -0.000029
C         -0.840349   -3.500629    0.000269
C         -0.568378   -2.004752   -0.000077
C         -0.568378    4.045147    0.000274
C          1.401135   -2.966543   -0.000029
C          0.840349    3.500629    0.000269
C          0.568378   -4.045147    0.000274
C          0.568378    2.004752   -0.000077
H         -2.512721   -1.373827    0.000148
H         -2.492573    2.972996   -0.000118
H         -1.419724   -3.795012   -0.891998
H         -1.419584   -3.794637    0.892756
H         -1.320831   -0.061941   -0.000295
H         -0.849902    5.097481    0.000477
H          2.512721    1.373827    0.000148
H          2.492573   -2.972996   -0.000118
H          1.419724    3.795012   -0.891998
H          1.419584    3.794637    0.892756
H          1.320831    0.061941   -0.000295
H          0.849902   -5.097481    0.000477

(An4 dimer (Ci), RAHB, CI, NImag = 0, SCF Done = -527.761187779 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000003 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000024 0.001800 YES
 RMS Displacement     0.000006 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.197191 (Hartree/Particle)
 Thermal correction to Energy=                           0.209710
 Thermal correction to Enthalpy=                         0.210654
 Thermal correction to Gibbs Free Energy=                0.155867
 Sum of electronic and zero-point Energies=           -529.366192
 Sum of electronic and thermal Energies=              -529.353674
 Sum of electronic and thermal Enthalpies=            -529.352730
 Sum of electronic and thermal Free Energies=         -529.407516
 
XYZ coordinates of optimized structure:
N         -1.735311    0.669319    0.000448
N         -1.025629   -1.581092    0.009358
N          1.735311   -0.669319   -0.000448
N          1.025629    1.581092   -0.009358
C         -4.060731    0.443555    0.006240
C         -3.473087   -0.947726    0.011447
C         -3.008287    1.309118    0.000104
C         -1.986297   -0.629835    0.006945
C          4.060731   -0.443555   -0.006240
C          3.473087    0.947726   -0.011447
C          3.008287   -1.309118   -0.000104
C          1.986297    0.629835   -0.006945
H         -5.121236    0.692543    0.007261
H         -3.751127   -1.539920   -0.877649
H         -3.747481   -1.531701    0.907087
H         -3.048349    2.399829   -0.004838
H         -1.295778   -2.553815    0.014405
H         -0.021233   -1.322103    0.006125
H          5.121236   -0.692543   -0.007261
H          3.751127    1.539920    0.877649
H          3.747481    1.531701   -0.907087
H          3.048349   -2.399829    0.004838
H          1.295778    2.553815   -0.014405
H          0.021233    1.322103   -0.006125

(An4, RAHB, C1, NImag = 0, SCF Done = -263.873544265 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000001 0.001800 YES
 RMS Displacement     0.000000 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.097896 (Hartree/Particle)
 Thermal correction to Energy=                           0.103299
 Thermal correction to Enthalpy=                         0.104244
 Thermal correction to Gibbs Free Energy=                0.069592
 Sum of electronic and zero-point Energies=           -264.670174
 Sum of electronic and thermal Energies=              -264.664770
 Sum of electronic and thermal Enthalpies=            -264.663826
 Sum of electronic and thermal Free Energies=         -264.698477
 
XYZ coordinates of optimized structure:
N          2.053870   -0.009109    0.077039
N          0.000715   -1.182218   -0.009071
C         -1.565106    0.554768    0.000841
C         -1.375983   -0.795282   -0.003576
C         -0.192599    1.183784    0.004755
C          0.675712   -0.059081   -0.006298
H         -2.514071    1.090323   -0.007944
H         -2.138837   -1.575133   -0.009299
H         -0.007082    1.820098   -0.878816
H          2.515297   -0.891312   -0.125026
H          2.504327    0.800335   -0.334348
H          0.006116    1.789846    0.905327

(Im1 dimer (C2), RAHB, C2, NImag = 0, SCF Done = -569.811298306 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000013 0.001800 YES
 RMS Displacement     0.000003 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.222226 (Hartree/Particle)
 Thermal correction to Energy=                           0.233844
 Thermal correction to Enthalpy=                         0.234788
 Thermal correction to Gibbs Free Energy=                0.183953
 Sum of electronic and zero-point Energies=           -571.480637
 Sum of electronic and thermal Energies=              -571.469019
 Sum of electronic and thermal Enthalpies=            -571.468075
 Sum of electronic and thermal Free Energies=         -571.518909
 
XYZ coordinates of optimized structure:
O         -0.534538   -1.795798   -0.010235
O          0.534538    1.795798   -0.010235
N         -1.611642    0.277908   -0.026164
N          1.611642   -0.277908   -0.026164
C         -3.880252   -0.477049    0.288354
C         -3.013694    0.740365   -0.119249
C         -2.982114   -1.668402   -0.092777
C         -1.611642   -1.027525   -0.029136
C          3.880252    0.477049    0.288354
C          3.013694   -0.740365   -0.119249
C          2.982114    1.668402   -0.092777
C          1.611642    1.027525   -0.029136
H         -4.862725   -0.486575   -0.205384
H         -4.037091   -0.466040    1.378439
H         -3.218937    1.054612   -1.158553
H         -3.164899    1.613752    0.532615
H         -3.159336   -2.017812   -1.125113
H         -3.054574   -2.536989    0.576859
H         -0.313651    1.198519   -0.016987
H          4.862725    0.486575   -0.205384
H          4.037091    0.466040    1.378439
H          3.218937   -1.054612   -1.158553
H          3.164899   -1.613752    0.532615
H          3.159336    2.017812   -1.125113
H          3.054574    2.536989    0.576859
H          0.313651   -1.198519   -0.016987

(Im1 dimer (Ci), RAHB, CI, NImag = 0, SCF Done = -569.811306724 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000044 0.000450 YES
 RMS Force            0.000009 0.000300 YES
 Maximum Displacement 0.001455 0.001800 YES
 RMS Displacement     0.000373 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.222230 (Hartree/Particle)
 Thermal correction to Energy=                           0.233846
 Thermal correction to Enthalpy=                         0.234790
 Thermal correction to Gibbs Free Energy=                0.183308
 Sum of electronic and zero-point Energies=           -571.480640
 Sum of electronic and thermal Energies=              -571.469024
 Sum of electronic and thermal Enthalpies=            -571.468080
 Sum of electronic and thermal Free Energies=         -571.519561
 
XYZ coordinates of optimized structure:
O         -1.640645    0.020637   -0.904258
O          1.640645   -0.020637    0.904258
N         -0.614349    0.019599    1.515988
N          0.614349   -0.019599   -1.515988
C         -1.363155    0.132475    2.786621
C         -0.996930   -0.092187   -3.267882
C         -0.661345   -0.015386   -1.793286
C         -0.360945   -0.271610    3.896377
C          1.363155   -0.132475   -2.786621
C          0.996930    0.092187    3.267882
C          0.661345    0.015386    1.793286
C          0.360945    0.271610   -3.896377
H         -2.254149   -0.512350    2.755909
H         -1.825212    0.580916   -3.530530
H         -1.705205    1.176018    2.909449
H         -1.308472   -1.124863   -3.504064
H         -1.237403    0.021588    0.051525
H         -0.556380    0.233822    4.853171
H         -0.413799   -1.359677    4.058721
H          2.254149    0.512350   -2.755909
H          1.825212   -0.580916    3.530530
H          1.705205   -1.176018   -2.909449
H          1.308472    1.124863    3.504064
H          1.237403   -0.021588   -0.051525
H          0.556380   -0.233822   -4.853171
H          0.413799    1.359677   -4.058721

(Im1, RAHB, C1, NImag = 0, SCF Done = -284.895404839 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000093 0.000450 YES
 RMS Force            0.000016 0.000300 YES
 Maximum Displacement 0.000663 0.001800 YES
 RMS Displacement     0.000189 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.110644 (Hartree/Particle)
 Thermal correction to Energy=                           0.116014
 Thermal correction to Enthalpy=                         0.116958
 Thermal correction to Gibbs Free Energy=                0.081990
 Sum of electronic and zero-point Energies=           -285.720864
 Sum of electronic and thermal Energies=              -285.715495
 Sum of electronic and thermal Enthalpies=            -285.714551
 Sum of electronic and thermal Free Energies=         -285.749518
 
XYZ coordinates of optimized structure:
O          2.095633    0.081502   -0.051012
N          0.128067   -1.175420   -0.037107
C         -1.480708    0.639150   -0.194871
C         -1.315825   -0.874739    0.109019
C         -0.088933    1.207116    0.152804
C          0.744366   -0.043554    0.001364
H         -2.301227    1.105602    0.369679
H         -1.899524   -1.514108   -0.569357
H         -1.675472    0.777909   -1.269929
H         -1.618190   -1.118317    1.143021
H         -0.022626    1.562435    1.195930
H          2.448021   -0.824076   -0.106268
H          0.254085    2.018643   -0.505137

(Im2 dimer (C2h), RAHB, C2H, NImag = 0, SCF Done = -567.406876017 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000107 0.000450 YES
 RMS Force            0.000022 0.000300 YES
 Maximum Displacement 0.001064 0.001800 YES
 RMS Displacement     0.000361 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.172560 (Hartree/Particle)
 Thermal correction to Energy=                           0.183734
 Thermal correction to Enthalpy=                         0.184678
 Thermal correction to Gibbs Free Energy=                0.134431
 Sum of electronic and zero-point Energies=           -569.076557
 Sum of electronic and thermal Energies=              -569.065383
 Sum of electronic and thermal Enthalpies=            -569.064439
 Sum of electronic and thermal Free Energies=         -569.114686
 
XYZ coordinates of optimized structure:
O         -0.466975    1.918673    0.000000
O          0.466975   -1.918673    0.000000
N         -1.642972   -0.165802    0.000000
N          1.642972    0.165802    0.000000
C         -3.852020    0.615691    0.000000
C         -2.909858    1.784434    0.000000
C         -2.892961   -0.541729    0.000000
C         -1.642972    1.272454    0.000000
C          3.852020   -0.615691    0.000000
C          2.909858   -1.784434    0.000000
C          2.892961    0.541729    0.000000
C          1.642972   -1.272454    0.000000
H         -4.509309    0.569094   -0.888452
H         -4.509309    0.569094    0.888452
H         -3.182096    2.837736    0.000000
H         -3.166079   -1.600425    0.000000
H         -0.277066   -1.249927    0.000000
H          4.509309   -0.569094   -0.888452
H          4.509309   -0.569094    0.888452
H          3.182096   -2.837736    0.000000
H          3.166079    1.600425    0.000000
H          0.277066    1.249927    0.000000

(Im2, RAHB, CS, NImag = 0, SCF Done = -283.696403765 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000247 0.000450 YES
 RMS Force            0.000046 0.000300 YES
 Maximum Displacement 0.000868 0.001800 YES
 RMS Displacement     0.000312 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.085207 (Hartree/Particle)
 Thermal correction to Energy=                           0.090322
 Thermal correction to Enthalpy=                         0.091267
 Thermal correction to Gibbs Free Energy=                0.057053
 Sum of electronic and zero-point Energies=           -284.524134
 Sum of electronic and thermal Energies=              -284.519019
 Sum of electronic and thermal Enthalpies=            -284.518075
 Sum of electronic and thermal Free Energies=         -284.552288
 
XYZ coordinates of optimized structure:
O          0.197301    2.062140    0.000000
N          1.155261   -0.120881    0.000000
C         -1.177619    0.030864    0.000000
C         -0.804771   -1.425427    0.000000
C          0.700469   -1.345859    0.000000
C          0.000000    0.716932    0.000000
H         -2.182574    0.448020    0.000000
H         -1.164601   -1.975940   -0.889039
H         -1.164601   -1.975940    0.889039
H          1.379753   -2.202504    0.000000
H          1.158313    2.196352    0.000000

(Im3 dimer (C2h), RAHB, C2H, NImag = 0, SCF Done = -567.442287974 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000154 0.000450 YES
 RMS Force            0.000030 0.000300 YES
 Maximum Displacement 0.001428 0.001800 YES
 RMS Displacement     0.000386 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.173664 (Hartree/Particle)
 Thermal correction to Energy=                           0.184362
 Thermal correction to Enthalpy=                         0.185306
 Thermal correction to Gibbs Free Energy=                0.136498
 Sum of electronic and zero-point Energies=           -569.109555
 Sum of electronic and thermal Energies=              -569.098857
 Sum of electronic and thermal Enthalpies=            -569.097913
 Sum of electronic and thermal Free Energies=         -569.146721
 
XYZ coordinates of optimized structure:
O         -0.571756   -1.804655    0.000000
O          0.571756    1.804655    0.000000
N         -1.604872    0.307520    0.000000
N          1.604872   -0.307520    0.000000
C         -3.842256   -0.492594    0.000000
C         -3.000190   -1.559889    0.000000
C         -3.000190    0.757663    0.000000
C         -1.631409   -1.007873    0.000000
C          3.842256    0.492594    0.000000
C          3.000190   -0.757663    0.000000
C          3.000190    1.559889    0.000000
C          1.631409    1.007873    0.000000
H         -4.933713   -0.510397    0.000000
H         -3.243742   -2.622365    0.000000
H         -3.191868    1.383350   -0.890009
H         -3.191868    1.383350    0.890009
H         -0.282221    1.228572    0.000000
H          4.933713    0.510397    0.000000
H          3.243742    2.622365    0.000000
H          3.191868   -1.383350   -0.890009
H          3.191868   -1.383350    0.890009
H          0.282221   -1.228572    0.000000

(Im3, RAHB, CS, NImag = 0, SCF Done = -283.709766667 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000303 0.000450 YES
 RMS Force            0.000067 0.000300 YES
 Maximum Displacement 0.001554 0.001800 YES
 RMS Displacement     0.000399 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.086094 (Hartree/Particle)
 Thermal correction to Energy=                           0.091006
 Thermal correction to Enthalpy=                         0.091951
 Thermal correction to Gibbs Free Energy=                0.058084
 Sum of electronic and zero-point Energies=           -284.535867
 Sum of electronic and thermal Energies=              -284.530955
 Sum of electronic and thermal Enthalpies=            -284.530011
 Sum of electronic and thermal Free Energies=         -284.563878
 
XYZ coordinates of optimized structure:
O          0.128792    2.051324    0.000000
N         -1.142198    0.074421    0.000000
C         -0.793279   -1.351585    0.000000
C          1.192859   -0.160945    0.000000
C          0.714544   -1.435755    0.000000
C          0.000000    0.700062    0.000000
H         -1.233399   -1.837246   -0.888995
H         -1.233399   -1.837246    0.888995
H         -0.775718    2.409044    0.000000
H          2.227379    0.183378    0.000000
H          1.295449   -2.360125    0.000000

(Im4 dimer (C2h), RAHB, C2H, NImag = 0, SCF Done = -567.434374243 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000000 0.000450 YES
 RMS Force            0.000000 0.000300 YES
 Maximum Displacement 0.000005 0.001800 YES
 RMS Displacement     0.000001 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.172471 (Hartree/Particle)
 Thermal correction to Energy=                           0.183315
 Thermal correction to Enthalpy=                         0.184260
 Thermal correction to Gibbs Free Energy=                0.135360
 Sum of electronic and zero-point Energies=           -569.103947
 Sum of electronic and thermal Energies=              -569.093103
 Sum of electronic and thermal Enthalpies=            -569.092159
 Sum of electronic and thermal Free Energies=         -569.141059
 
XYZ coordinates of optimized structure:
O         -1.636764   -0.932331    0.000000
O          1.636764    0.932331    0.000000
N         -0.641693    1.496461    0.000000
N          0.641693   -1.496461    0.000000
C         -1.344435    2.742083    0.000000
C         -0.897210   -3.286446    0.000000
C         -0.641693   -1.797542    0.000000
C         -0.512944    3.820106    0.000000
C          1.344435   -2.742083    0.000000
C          0.897210    3.286446    0.000000
C          0.641693    1.797542    0.000000
C          0.512944   -3.820106    0.000000
H         -2.434847    2.729678    0.000000
H         -1.482190   -3.574111   -0.889946
H         -1.482190   -3.574111    0.889946
H         -1.252758    0.031978    0.000000
H         -0.803733    4.869860    0.000000
H          2.434847   -2.729678    0.000000
H          1.482190    3.574111   -0.889946
H          1.482190    3.574111    0.889946
H          1.252758   -0.031978    0.000000
H          0.803733   -4.869860    0.000000

(Im4, RAHB, CS, NImag = 0, SCF Done = -283.706200437 A.U.)

Convergence after frequencies:
Item Value Threshold Converged?
 Maximum Force        0.000161 0.000450 YES
 RMS Force            0.000041 0.000300 YES
 Maximum Displacement 0.000860 0.001800 YES
 RMS Displacement     0.000237 0.001200 YES

Thermochemistry (T = 298.150 K and P = 1.00000 Atm.):
 Zero-point correction=                                  0.085794 (Hartree/Particle)
 Thermal correction to Energy=                           0.090792
 Thermal correction to Enthalpy=                         0.091736
 Thermal correction to Gibbs Free Energy=                0.057734
 Sum of electronic and zero-point Energies=           -284.532046
 Sum of electronic and thermal Energies=              -284.527048
 Sum of electronic and thermal Enthalpies=            -284.526104
 Sum of electronic and thermal Free Energies=         -284.560106
 
XYZ coordinates of optimized structure:
O         -0.186736    2.024646    0.000000
N          1.167119    0.108417    0.000000
C         -1.179784   -0.251014    0.000000
C         -0.456189   -1.575604    0.000000
C          0.878667   -1.297067    0.000000
C          0.000000    0.684500    0.000000
H         -1.810261   -0.091110   -0.891118
H         -1.810261   -0.091110    0.891118
H         -0.923844   -2.559804    0.000000
H          1.710753   -2.001727    0.000000
H          0.701508    2.422777    0.000000

