%chk=000210223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210223

1 1
S -0.307594 -2.189555 -0.927382
N -0.878538 0.122134 -0.014674
N 5.706238 0.544307 0.078200
C -2.135333 -0.534327 -0.223021
C 0.204403 -0.631674 -0.332398
C -1.998296 -1.793470 -0.738702
C 1.590500 -0.307806 -0.224557
C -3.391809 0.157837 0.103954
C -0.813118 1.505135 0.494785
C 2.125820 0.306386 0.938753
C 2.485418 -0.641199 -1.277892
C 4.372366 0.264106 -0.018124
C -3.034414 -2.758993 -1.111116
C 3.467227 0.586448 1.049973
C 3.828662 -0.361601 -1.190952
C -3.918879 0.068292 1.401204
C -4.064744 0.883575 -0.891141
C -5.122912 0.711469 1.700013
C -5.267703 1.522812 -0.581050
C -5.796211 1.438140 0.711940
C 6.283255 1.182800 1.282215
C 6.652889 0.208200 -1.008752
H 0.132127 2.000147 0.195695
H -1.649196 2.113161 0.089243
H -0.894351 1.527258 1.598768
H 1.460068 0.538318 1.773605
H 2.096027 -1.112536 -2.185218
H -3.685089 -3.010871 -0.250262
H -3.709417 -2.354352 -1.890643
H -2.646260 -3.714727 -1.498515
H 3.843302 1.046079 1.961945
H 4.481563 -0.619825 -2.022984
H -3.400391 -0.504501 2.169409
H -3.658345 0.943615 -1.900482
H -5.541175 0.643368 2.706198
H -5.798590 2.086788 -1.350583
H 7.372118 1.333664 1.171362
H 6.130546 0.554449 2.179767
H 5.832928 2.177004 1.460908
H 6.379294 0.722635 -1.949032
H 6.678649 -0.882318 -1.192965
H 7.681389 0.520715 -0.753894
H -6.738224 1.937512 0.949303


%chk=000210223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210223

1 1
S -0.304324 -2.058932 -1.324315
N -0.888612 0.124729 -0.024235
N 5.792641 0.505415 0.149263
C -2.158651 -0.475873 -0.314220
C 0.213914 -0.570499 -0.456515
C -2.049618 -1.649358 -1.031199
C 1.609996 -0.247487 -0.292269
C -3.426044 0.158482 0.131980
C -0.812958 1.498096 0.536567
C 2.126994 0.465062 0.841191
C 2.564186 -0.713987 -1.257428
C 4.444111 0.257792 0.009541
C -3.121309 -2.575783 -1.519996
C 3.491897 0.707516 0.992094
C 3.928378 -0.468757 -1.123004
C -3.716337 0.305097 1.516176
C -4.376769 0.594797 -0.829000
C -4.935958 0.882771 1.928127
C -5.596765 1.171346 -0.412095
C -5.877860 1.318010 0.965693
C 6.299101 1.262392 1.312722
C 6.753660 0.008859 -0.857880
H 0.080207 2.002902 0.139362
H -1.714142 2.049142 0.231042
H -0.769718 1.479907 1.637834
H 1.458594 0.781405 1.646994
H 2.214943 -1.252089 -2.146767
H -4.102012 -2.252321 -1.135585
H -3.175960 -2.590191 -2.624246
H -2.946725 -3.612966 -1.181816
H 3.833652 1.229348 1.888783
H 4.605085 -0.829011 -1.900897
H -3.003945 -0.055867 2.267464
H -4.155497 0.492504 -1.897506
H -5.156451 0.983377 2.995689
H -6.322879 1.506654 -1.159511
H 7.387969 1.383387 1.222154
H 6.092114 0.732533 2.262029
H 5.847687 2.270949 1.363685
H 6.555135 0.445472 -1.854995
H 6.718125 -1.093666 -0.940205
H 7.772757 0.293686 -0.559931
H -6.824412 1.763760 1.288126


