%chk=000234017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234017

0 1
S -1.528586 -0.308566 1.239862
O -0.589551 0.527875 -1.093576
C 1.987868 -1.200246 -0.362691
C 2.287833 0.289142 -0.209876
C 1.044198 -0.298421 0.480050
C 1.508735 -1.698445 -1.703916
C 2.801491 -2.217975 0.398914
C 3.406613 0.787743 0.618716
C -0.287844 0.061227 -0.031460
C 4.678234 0.856479 0.191393
C 5.766829 1.399599 1.064731
C 5.106183 0.418360 -1.174023
C -3.121305 -0.002376 0.549348
C -4.156613 -0.809588 1.032429
C -3.357799 1.013319 -0.376103
C -5.459463 -0.580410 0.580979
C -4.665857 1.227330 -0.826831
C -5.714180 0.436170 -0.347571
H 2.098248 0.930372 -1.089158
H 1.096448 -0.433246 1.572749
H 0.882251 -0.961924 -2.231606
H 2.352825 -1.932956 -2.363591
H 0.906172 -2.610376 -1.600304
H 3.638992 -2.588085 -0.205941
H 3.234083 -1.803076 1.319317
H 2.188038 -3.082519 0.683456
H 3.124381 1.127508 1.614776
H 6.489962 0.614931 1.327106
H 6.323189 2.198921 0.555719
H 5.389946 1.819641 2.006152
H 4.957620 1.228407 -1.903026
H 6.164701 0.134880 -1.213477
H 4.524438 -0.444159 -1.529317
H -3.960305 -1.607843 1.748393
H -2.538755 1.625925 -0.761510
H -6.276902 -1.197069 0.950623
H -4.863328 2.014263 -1.553166
H -6.730291 0.608684 -0.697971


%chk=000234017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234017

0 1
S -1.331986 -0.160812 1.448070
O -0.422446 -0.266990 -1.181655
C 2.062402 -1.983665 -0.138265
C 2.490396 -0.518609 -0.291297
C 1.196886 -0.869623 0.544207
C 1.521946 -2.702926 -1.372469
C 2.821476 -2.901159 0.820861
C 3.666984 0.077986 0.389095
C -0.117233 -0.445424 0.018406
C 4.364033 1.186188 -0.006677
C 5.563434 1.668743 0.792142
C 4.038025 2.024254 -1.229879
C -2.891203 0.290789 0.580047
C -4.075067 -0.389573 0.950172
C -2.925527 1.321760 -0.386948
C -5.304793 -0.025483 0.355195
C -4.157013 1.667762 -0.987877
C -5.348067 1.001138 -0.616548
H 2.230237 -0.093368 -1.267569
H 1.296868 -0.810338 1.633536
H 0.953579 -2.025472 -2.030267
H 2.363034 -3.130108 -1.950468
H 0.852830 -3.533865 -1.080105
H 3.738270 -3.286100 0.335677
H 3.120546 -2.394455 1.754527
H 2.192128 -3.767020 1.097067
H 4.005742 -0.430702 1.303136
H 6.478505 1.684557 0.166744
H 5.409574 2.706110 1.151147
H 5.759421 1.027993 1.669232
H 3.847794 3.075632 -0.936274
H 4.897416 2.043648 -1.929241
H 3.155947 1.667931 -1.785009
H -4.033586 -1.195110 1.690781
H -2.005858 1.838878 -0.672802
H -6.222074 -0.549132 0.646282
H -4.183245 2.461761 -1.742299
H -6.300875 1.278301 -1.081077


