%chk=000230863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230863

0 1
S 4.486758 -0.472289 0.025325
O 3.021337 1.945196 1.520065
O 2.195919 -0.359375 -2.427172
N 1.776435 1.707075 -0.435397
N 1.758289 -2.094450 -0.950841
N 0.596342 2.061742 0.174217
N 0.398020 -1.883145 -1.035577
C 4.178508 1.254227 -0.487685
C 4.097243 -1.435154 -1.476193
C 5.385703 2.086614 -0.114050
C 4.575514 -2.849773 -1.240274
C 2.956463 1.670143 0.346061
C 2.599725 -1.239911 -1.685964
C -0.544525 1.885658 -0.442571
C -0.437255 -2.574359 -0.312352
C -1.755020 2.337522 0.297287
C -1.878582 -2.239567 -0.491124
C -2.823233 2.928921 -0.397176
C -2.710787 -3.095211 -1.226704
C -1.842541 2.166576 1.689297
C -2.395555 -1.075695 0.093794
C -0.748520 1.279379 -1.795723
C -0.124313 -3.646289 0.686064
C -3.971146 3.326086 0.292703
C -4.064946 -2.781290 -1.370700
C -2.994048 2.565543 2.372362
C -3.750407 -0.767828 -0.058459
C -4.061484 3.140901 1.676151
C -4.585249 -1.620363 -0.787590
H 3.989908 1.313848 -1.587178
H 4.623380 -1.001519 -2.366996
H 5.551741 2.102238 0.977184
H 5.253098 3.135585 -0.419044
H 6.306533 1.719779 -0.584769
H 4.254088 -3.271552 -0.278194
H 5.676763 -2.900949 -1.245751
H 4.224247 -3.527035 -2.033487
H 1.769718 1.315184 -1.399032
H 2.154751 -2.742301 -0.260579
H -2.756541 3.086602 -1.472454
H -2.302794 -3.991619 -1.689090
H -0.999479 1.738769 2.236950
H -1.741035 -0.407135 0.656334
H -1.732309 0.796896 -1.889874
H -0.014575 0.477220 -2.018806
H -0.663431 2.028224 -2.593160
H 0.414646 -4.488385 0.232132
H 0.476627 -3.257493 1.521691
H -1.038790 -4.064982 1.135735
H -4.795435 3.786401 -0.249015
H -4.715678 -3.440959 -1.942375
H -3.055199 2.433308 3.451425
H -4.148713 0.144271 0.389248
H -4.956899 3.451546 2.210400
H -5.640370 -1.379225 -0.904670


%chk=000230863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230863

0 1
S 4.443474 -0.586579 0.295199
O 2.984825 2.199489 1.793862
O 2.149586 -0.144263 -2.247983
N 1.763327 1.790662 -0.182415
N 1.672303 -2.155186 -1.144025
N 0.563702 2.213652 0.367573
N 0.295268 -1.923810 -1.119995
C 4.167932 1.279858 -0.150493
C 4.024968 -1.432022 -1.381024
C 5.420730 2.073506 0.244861
C 4.517768 -2.887358 -1.299999
C 2.923810 1.794850 0.602783
C 2.539300 -1.197514 -1.651353
C -0.509193 2.231964 -0.416036
C -0.470589 -2.911659 -0.673099
C -1.767626 2.681607 0.248095
C -1.923108 -2.614399 -0.559240
C -2.997108 2.814195 -0.456082
C -2.902283 -3.642125 -0.655419
C -1.756477 2.996209 1.641591
C -2.359253 -1.275814 -0.343103
C -0.468527 1.829057 -1.880923
C 0.077114 -4.267746 -0.249458
C -4.170526 3.246748 0.203846
C -4.276520 -3.337875 -0.548733
C -2.925501 3.424858 2.295759
C -3.730652 -0.975445 -0.227486
C -4.143514 3.553588 1.582005
C -4.696274 -2.005356 -0.330631
H 4.006561 1.282942 -1.242474
H 4.577921 -0.880982 -2.158619
H 5.559904 2.047487 1.338298
H 5.300295 3.133195 -0.048888
H 6.317849 1.664657 -0.249315
H 4.117858 -3.425383 -0.418981
H 5.616769 -2.903009 -1.208346
H 4.239917 -3.444778 -2.213360
H 1.805247 1.341345 -1.117113
H 2.078410 -2.978098 -0.681279
H -3.053967 2.591780 -1.526372
H -2.602035 -4.679104 -0.843914
H -0.810486 2.896079 2.181680
H -1.609606 -0.485963 -0.243339
H -1.431151 1.978744 -2.387625
H -0.183769 0.765381 -1.999493
H 0.290179 2.423667 -2.427351
H 0.656040 -4.749684 -1.061939
H 0.744519 -4.165503 0.630964
H -0.727211 -4.953669 0.049315
H -5.102854 3.348405 -0.363520
H -5.017814 -4.139866 -0.636005
H -2.890987 3.661528 3.365289
H -4.040197 0.058373 -0.039553
H -5.052872 3.889781 2.092748
H -5.762581 -1.772815 -0.234485


