%chk=000211647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211647

0 1
S 1.325900 2.054342 0.393328
S -1.166566 2.903704 -0.991203
O -0.262631 -0.273731 2.326924
O 3.823330 0.109065 0.309744
O 2.325819 -0.830203 -1.113373
N -0.723759 0.492975 0.137034
C 0.209215 -0.338478 0.985600
C 1.602969 0.341001 0.921597
C 0.192359 -1.809462 0.629133
C -0.332319 1.757855 -0.209779
C -2.015166 -0.050227 -0.255701
C 2.557455 -0.218762 -0.100075
C -2.889647 -0.512042 0.741172
C -2.356379 -0.116847 -1.615075
C -4.124899 -1.041595 0.362332
C -3.599750 -0.645628 -1.971155
C 4.948416 -0.269616 -0.553014
C -4.482177 -1.107190 -0.988814
C 5.239462 -1.746454 -0.402591
H 2.073686 0.322598 1.941256
H -0.801132 -2.256718 0.791086
H 0.465095 -1.976070 -0.428534
H 0.894131 -2.377799 1.255075
H -0.379912 0.646443 2.654852
H -2.604733 -0.459878 1.793424
H -1.670043 0.245181 -2.381805
H -4.814299 -1.400317 1.126157
H -3.880805 -0.695413 -3.023175
H 4.702423 0.016438 -1.591199
H 5.743037 0.380241 -0.141199
H -5.449750 -1.515533 -1.276064
H 6.168224 -2.025096 -0.916131
H 5.343383 -2.035095 0.651298
H 4.432164 -2.359192 -0.831824


%chk=000211647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211647

0 1
S 1.244272 2.239724 0.935874
S -1.274564 3.038215 -0.669597
O -0.307717 -0.062541 2.667129
O 3.771321 0.000017 0.290807
O 1.987428 -0.480700 -1.141470
N -0.694533 0.518372 0.330417
C 0.171219 -0.251071 1.287549
C 1.591013 0.369530 1.156661
C 0.133122 -1.760737 1.055396
C -0.384763 1.849463 0.122459
C -1.895559 -0.075916 -0.222143
C 2.420686 -0.096237 -0.030788
C -2.981837 -0.396312 0.624017
C -1.952396 -0.339468 -1.609439
C -4.136607 -0.992964 0.069834
C -3.114520 -0.925654 -2.155500
C 4.745243 -0.337710 -0.799098
C -4.206883 -1.254557 -1.318174
C 5.038610 -1.839565 -0.813682
H 2.148885 0.233743 2.094737
H -0.856947 -2.153383 1.333881
H 0.341290 -2.000894 0.002194
H 0.887727 -2.241959 1.700043
H -0.232635 0.904183 2.896406
H -2.914359 -0.179278 1.694905
H -1.094389 -0.084692 -2.239175
H -4.981970 -1.243712 0.719856
H -3.165954 -1.127925 -3.230771
H 4.321577 0.002047 -1.760173
H 5.633827 0.259098 -0.540243
H -5.107272 -1.709774 -1.745258
H 5.818530 -2.056406 -1.566847
H 5.405553 -2.180415 0.169687
H 4.135703 -2.414024 -1.080195


