%chk=000223194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223194

0 1
S 2.543300 2.320962 2.072660
S -2.541506 2.470835 -1.898723
O 2.876872 3.735877 2.063564
O 2.034728 1.716252 3.275576
O -2.871771 3.882145 -1.787203
O -2.034467 1.953586 -3.142389
O 6.671885 -2.870721 0.579816
O -6.682059 -2.805750 -0.784731
N 1.278942 2.327938 0.865661
N -1.277005 2.387523 -0.694714
N 1.191606 -0.013644 0.745769
N -1.195244 0.043211 -0.744639
N 7.066336 -0.742754 -0.227040
N -7.071273 -0.740984 0.174498
C 0.618356 1.171692 0.426764
C -0.619186 1.200984 -0.340742
C 3.842892 1.423491 1.424870
C -3.843088 1.531827 -1.317200
C 0.596669 -1.175383 0.332253
C -0.603140 -1.146825 -0.416299
C 4.781327 2.048625 0.590650
C -4.779787 2.096964 -0.439379
C 3.982068 0.061689 1.727701
C -3.985592 0.195927 -1.718025
C 5.968325 -0.050212 0.355217
C -5.971749 -0.010609 -0.356417
C 5.841704 1.329112 0.053568
C -5.841740 1.342867 0.044522
C 5.037641 -0.679311 1.200772
C -5.042796 -0.578867 -1.245824
C 1.277670 -2.447091 0.710359
C -1.287173 -2.386209 -0.885335
C 7.362382 -2.128594 -0.082156
C -7.370645 -2.111963 -0.070410
C 8.595270 -2.555049 -0.824616
C -8.604386 -2.588239 0.639639
H 0.956584 3.224108 0.486674
H -0.952308 3.253196 -0.252173
H 4.684371 3.118217 0.365392
H -4.680216 3.147142 -0.137099
H 3.252556 -0.427668 2.388600
H -3.257408 -0.245882 -2.413006
H 6.560200 1.827863 -0.591136
H -6.558856 1.795196 0.724062
H 5.136875 -1.743198 1.443206
H -5.144641 -1.622110 -1.564806
H 0.715498 -2.977030 1.493835
H 2.291683 -2.270995 1.104954
H 1.379992 -3.122532 -0.150608
H -0.725947 -2.859749 -1.704778
H -2.300530 -2.179519 -1.266551
H -1.391663 -3.121678 -0.075319
H 7.689700 -0.177181 -0.810302
H -7.693151 -0.217750 0.797510
H 9.500114 -2.035969 -0.479427
H 8.510434 -2.405528 -1.909884
H 8.771116 -3.634362 -0.667383
H -9.508067 -2.043371 0.333337
H -8.518976 -2.518007 1.732860
H -8.782821 -3.652894 0.404623


%chk=000223194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223194

0 1
S 2.401951 1.804300 2.234580
S -2.421614 1.794589 -2.284819
O 2.511704 3.417700 2.425906
O 1.979553 0.855357 3.478292
O -2.532170 3.407200 -2.482396
O -2.012024 0.840124 -3.528413
O 7.755333 -2.370611 0.398335
O -7.754473 -2.367882 -0.360539
N 1.156078 1.748352 0.798771
N -1.162844 1.744621 -0.861617
N 1.188902 -0.632146 0.712040
N -1.195775 -0.635552 -0.764256
N 7.646850 -0.091114 -0.158893
N -7.641491 -0.083729 0.176404
C 0.588939 0.532890 0.383951
C -0.595887 0.530926 -0.441488
C 3.988036 1.176750 1.465877
C -4.000315 1.172158 -1.496612
C 0.616464 -1.816430 0.327698
C -0.623219 -1.818088 -0.374625
C 4.790340 2.107456 0.785844
C -4.795643 2.107952 -0.815330
C 4.343656 -0.167051 1.649292
C -4.357719 -0.172983 -1.666228
C 6.403618 0.291169 0.409312
C -6.404566 0.294461 -0.408029
C 6.008075 1.650547 0.251634
C -6.007622 1.655053 -0.264902
C 5.568155 -0.618260 1.118486
C -5.576544 -0.620202 -1.119206
C 1.334907 -3.090768 0.704639
C -1.341899 -3.094109 -0.745356
C 8.262939 -1.351380 -0.150577
C -8.256745 -1.344494 0.185424
C 9.611844 -1.403257 -0.861955
C -9.598000 -1.391100 0.911523
H 0.523508 2.552473 0.940020
H -0.530856 2.547543 -1.011170
H 4.479739 3.152714 0.696667
H -4.484081 3.153830 -0.737313
H 3.675664 -0.840638 2.193264
H -3.695391 -0.850651 -2.212002
H 6.656369 2.352999 -0.286232
H -6.650260 2.361506 0.274497
H 5.888028 -1.654108 1.239194
H -5.897430 -1.656990 -1.228603
H 0.821452 -3.610226 1.536895
H 2.360073 -2.856603 1.031204
H 1.383225 -3.798282 -0.142440
H -0.827526 -3.618632 -1.573844
H -2.366343 -2.861154 -1.074995
H -1.392163 -3.796828 0.105620
H 8.156941 0.653579 -0.639076
H -8.146995 0.664672 0.655669
H 10.382632 -1.728784 -0.142267
H 9.925369 -0.443528 -1.307862
H 9.566983 -2.167067 -1.656997
H -9.904873 -0.428934 1.356820
H -9.545744 -2.151644 1.709177
H -10.377209 -1.718097 0.201609


