%chk=000220914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220914

0 1
N 3.286477 -0.779310 -1.789178
N -4.007129 -0.239613 -1.181334
N 4.033202 0.797211 -0.110604
N -4.519824 0.195905 1.143487
N -0.111164 3.728582 -0.017208
N 4.932486 -1.491597 -0.107050
N -6.265726 -0.718470 -0.328094
N 4.094001 -3.007944 -1.717891
N -5.679579 -1.181855 -2.569514
N 5.685740 0.124177 1.448854
N -6.681561 -0.312562 1.963424
C 0.070902 1.169195 -0.599274
C 0.911496 1.058491 -1.904281
C -1.369566 0.663354 -0.897091
C 0.694135 0.351733 0.527957
C 2.366168 1.516102 -1.759042
C -2.276895 0.703133 0.334268
C -0.023035 2.601916 -0.255130
C 1.093545 0.936702 1.737105
C 0.865142 -1.031559 0.347147
C 3.264485 0.451880 -1.186033
C -3.665541 0.190645 0.071405
C 1.656605 0.150438 2.748308
C 1.431045 -1.812008 1.356698
C 1.827511 -1.223174 2.562130
C 4.116990 -1.727526 -1.200741
C -5.315546 -0.696566 -1.334425
C 4.857246 -0.203433 0.399276
C -5.807837 -0.273296 0.903605
H 0.424945 1.659670 -2.699611
H 0.884867 0.008670 -2.270919
H -1.326428 -0.373145 -1.293342
H -1.821599 1.262860 -1.714874
H 2.765353 1.803665 -2.758844
H 2.433679 2.438737 -1.135878
H -2.352110 1.740395 0.738185
H -1.830026 0.108430 1.168011
H 0.984803 2.007922 1.906736
H 0.569688 -1.502034 -0.590967
H 1.962119 0.616688 3.683514
H 1.567065 -2.881533 1.202466
H 2.266373 -1.833294 3.348583
H 4.794903 -3.670672 -1.421198
H 3.640341 -3.170136 -2.604622
H -6.639280 -1.432520 -2.748786
H -5.050602 -1.087291 -3.351258
H 5.566925 1.011016 1.915766
H 6.202765 -0.600157 1.922467
H -7.642164 -0.579666 1.819587
H -6.409490 0.070446 2.855511


%chk=000220914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220914

0 1
N 3.319340 -0.767235 -1.821302
N -4.040276 -0.277607 -1.174488
N 4.178528 0.827844 -0.208773
N -4.673692 0.303781 1.093231
N -0.116068 3.716970 0.103182
N 5.129091 -1.426748 -0.315430
N -6.331914 -0.679476 -0.413683
N 4.263682 -2.911733 -1.906230
N -5.654545 -1.215326 -2.591033
N 5.910582 0.162607 1.219854
N -6.874596 -0.095216 1.789642
C 0.055488 1.115641 -0.502541
C 0.897192 1.010855 -1.829599
C -1.401248 0.608956 -0.819294
C 0.675062 0.295691 0.654830
C 2.364427 1.499216 -1.737728
C -2.373022 0.720963 0.366685
C -0.029678 2.552580 -0.143805
C 1.036990 0.883205 1.890871
C 0.863886 -1.100856 0.486268
C 3.334323 0.460151 -1.214075
C -3.770231 0.219289 0.069275
C 1.574754 0.096792 2.935184
C 1.401269 -1.887546 1.526676
C 1.759112 -1.291969 2.759019
C 4.239009 -1.666920 -1.329458
C -5.339887 -0.710962 -1.355963
C 5.051501 -0.161528 0.203877
C -5.935909 -0.160054 0.793617
H 0.365704 1.601056 -2.599483
H 0.896623 -0.041604 -2.167596
H -1.333432 -0.444073 -1.146359
H -1.798067 1.175422 -1.681350
H 2.695763 1.765345 -2.760781
H 2.455099 2.407917 -1.118931
H -2.459909 1.771710 0.706815
H -1.993239 0.159910 1.242074
H 0.904596 1.960387 2.041159
H 0.606625 -1.579626 -0.465313
H 1.848867 0.572183 3.883707
H 1.545706 -2.962955 1.373564
H 2.177399 -1.902717 3.566900
H 4.941750 -3.596332 -1.582187
H 3.630309 -3.109614 -2.676174
H -6.600864 -1.541019 -2.769916
H -4.934869 -1.241797 -3.308541
H 5.854741 1.092190 1.628223
H 6.564853 -0.535375 1.563490
H -7.819256 -0.423879 1.607846
H -6.605668 0.290108 2.691344


