%chk=000253899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253899

0 1
S 1.607686 -1.921365 -1.454793
S -1.607347 -1.986595 1.356889
O 1.692181 -3.205077 -2.118765
O 0.997034 -0.800038 -2.148597
O -1.692253 -3.300573 1.958682
O -0.995918 -0.900061 2.103388
O 5.354599 1.726555 -2.241957
O 4.805192 -0.755973 1.624321
O -5.356505 1.614589 2.327724
O -4.803127 -0.665940 -1.660485
N 4.742525 0.431698 -0.390583
N -4.742484 0.416696 0.412811
C 0.746105 -2.137409 0.081456
C -0.746278 -2.129166 -0.188172
C 3.240562 -1.456320 -0.972929
C -3.240147 -1.498208 0.898364
C 3.374840 0.058163 -0.824275
C -3.375004 0.021876 0.827930
C 5.634410 1.259723 -1.171518
C 5.342984 -0.018647 0.838801
C -5.635270 1.203343 1.234456
C -5.341749 0.029978 -0.838593
C 6.880598 1.364485 -0.340049
C 6.706401 0.609734 0.854743
C -6.880762 1.350402 0.408378
C -6.705324 0.658056 -0.823451
C 8.050083 2.048792 -0.588519
C 7.700586 0.537751 1.805642
C -8.050650 2.020775 0.690638
C -7.698662 0.634780 -1.777666
C 9.074527 1.975667 0.386599
C 8.904146 1.240016 1.552975
C -9.074225 1.997603 -0.287855
C -8.902631 1.322872 -1.490324
H 1.016282 -1.342675 0.819649
H 1.043838 -3.085849 0.583218
H -1.046083 -3.051203 -0.735766
H -1.014631 -1.298570 -0.886524
H 3.567962 -1.958336 -0.033564
H 3.982722 -1.829612 -1.715402
H -3.566609 -1.951105 -0.065952
H -3.982672 -1.909672 1.620000
H 3.157638 0.575724 -1.796027
H 2.651175 0.450426 -0.070070
H -3.158902 0.488760 1.825245
H -2.650777 0.452792 0.095678
H 8.188095 2.628750 -1.502368
H 7.570860 -0.037904 2.723410
H -8.189615 2.552998 1.632946
H -7.567985 0.107047 -2.723672
H 10.009584 2.510347 0.209437
H 9.704978 1.196431 2.293484
H -10.009579 2.522269 -0.084288
H -9.702807 1.317197 -2.232801


%chk=000253899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253899

0 1
S 1.093903 -2.884087 -1.784004
S -1.073195 -2.941801 1.631258
O 1.572554 -3.827726 -3.026289
O -0.251638 -1.944367 -1.925521
O -1.545514 -3.924210 2.845596
O 0.261751 -1.992107 1.803076
O 2.518672 2.251580 -1.148905
O 4.513318 -1.311329 1.199334
O -2.504647 2.187295 1.232766
O -4.531431 -1.240561 -1.282995
N 3.249394 0.265867 -0.053408
N -3.249859 0.265519 0.037474
C 0.760513 -4.059617 -0.229150
C -0.723834 -4.072500 0.046979
C 2.576094 -1.735095 -1.303875
C -2.566427 -1.793965 1.180560
C 2.106794 -0.594009 -0.388202
C -2.105462 -0.612627 0.313426
C 3.353131 1.642442 -0.439169
C 4.353218 -0.148417 0.750019
C -3.348763 1.618032 0.501688
C -4.364956 -0.104504 -0.771805
C 4.624780 2.131990 0.181287
C 5.221084 1.062663 0.895119
C -4.630026 2.139748 -0.070934
C -5.235696 1.111696 -0.835742
C 5.217595 3.402244 0.134546
C 6.431029 1.228765 1.585241
C -5.224056 3.403778 0.058043
C -6.456329 1.314269 -1.496715
C 6.441673 3.580756 0.830818
C 7.038644 2.510937 1.544992
C -6.459054 3.618860 -0.607818
C -7.065187 2.590499 -1.373306
H 1.351296 -3.608105 0.590105
H 1.169911 -5.025655 -0.560978
H -1.120892 -5.051909 0.353640
H -1.320142 -3.606986 -0.760336
H 3.297751 -2.413978 -0.823109
H 2.939098 -1.395094 -2.287617
H -3.277460 -2.462571 0.670452
H -2.939437 -1.495535 2.174092
H 1.363166 0.035204 -0.907657
H 1.651253 -0.990715 0.537846
H -1.352796 -0.010935 0.852397
H -1.664207 -0.966721 -0.636165
H 4.746790 4.220418 -0.419166
H 6.882527 0.396683 2.134296
H -4.746210 4.189757 0.650944
H -6.915105 0.513962 -2.085499
H 6.934053 4.558862 0.818709
H 7.982723 2.679273 2.073846
H -6.953070 4.593254 -0.531520
H -8.017724 2.786770 -1.876763


