%chk=000281393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281393

0 1
S -5.345738 -1.147316 -0.145813
S -8.845739 1.313455 1.034521
O 7.849035 -3.053120 -0.434607
O -5.524342 -1.247250 -1.565793
O -5.476153 -2.277456 0.728661
O 4.181996 1.669737 1.890387
O 1.516985 3.389640 -0.974380
N 3.457816 0.353217 0.133272
N -6.405301 0.129280 0.449490
N 0.878681 1.284042 0.689812
N -0.247740 1.682467 1.030088
N -8.458543 -1.043059 -0.030059
C -3.844442 -0.347172 0.183396
C 2.011755 2.171747 1.044126
C -3.257600 0.463861 -0.795007
C -3.200904 -0.552887 1.409140
C -1.412261 0.897616 0.695574
C 4.589869 -0.527043 0.002871
C -2.038747 1.094681 -0.547821
C -1.981734 0.068960 1.678320
C 3.324561 1.353663 1.083504
C 2.173613 3.339814 0.032020
C 5.745530 -0.396205 0.802510
C 4.511671 -1.533776 -0.974973
C 6.722663 -2.271951 -0.367322
C 6.810478 -1.265108 0.619660
C 5.580464 -2.412568 -1.166014
C -7.778776 0.002627 0.423205
C 3.181354 4.357145 0.442733
C 7.881099 -4.139773 -1.416869
C 9.245379 -4.760844 -1.193149
C -10.242134 0.347855 0.633318
C -9.849542 -0.839620 0.092413
H 1.895388 2.628878 2.072422
H -3.748826 0.596792 -1.768071
H -3.648748 -1.215574 2.161633
H -1.574889 1.729234 -1.305746
H -1.478034 -0.087316 2.632115
H 2.661644 0.144260 -0.481870
H -6.033577 1.005868 0.832021
H 5.803814 0.387066 1.568601
H 3.621477 -1.641374 -1.594307
H 7.714654 -1.188144 1.222513
H 5.507442 -3.184780 -1.925019
H 4.024770 3.937463 1.020668
H 2.726098 5.136747 1.074306
H 3.607530 4.875508 -0.431873
H 7.768956 -3.702515 -2.423590
H 7.052614 -4.834010 -1.195543
H 9.416632 -5.605786 -1.869502
H 9.354604 -5.122175 -0.160524
H 10.048694 -4.027332 -1.352201
H -11.238616 0.705538 0.815871
H -10.492479 -1.646307 -0.254616


%chk=000281393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281393

0 1
S -4.915677 -1.431861 -1.188292
S -9.120412 -0.475340 -0.613462
O 7.458008 -3.143559 -0.565715
O -4.556699 -1.750547 -2.746740
O -5.382382 -2.595084 -0.153626
O 4.194962 1.951014 2.199920
O 1.671844 3.847285 -0.567276
N 3.300304 0.536512 0.529862
N -6.358402 0.033870 -1.228544
N 0.877129 1.532605 0.730625
N -0.281163 1.616609 1.305430
N -7.067351 0.025068 1.061362
C -3.479995 -0.470272 -0.439402
C 1.910365 2.358418 1.387435
C -2.372890 -0.216703 -1.269519
C -3.583934 -0.058059 0.899829
C -1.332464 0.880355 0.651452
C 4.360851 -0.378057 0.271573
C -1.278435 0.467136 -0.708341
C -2.485891 0.640063 1.442391
C 3.262815 1.581701 1.423284
C 2.129885 3.695082 0.588151
C 5.610069 -0.329413 0.951331
C 4.143244 -1.375956 -0.710127
C 6.388458 -2.265091 -0.342440
C 6.608047 -1.267654 0.640829
C 5.144707 -2.317680 -1.021996
C -7.311658 -0.085126 -0.248375
C 2.915138 4.748976 1.340289
C 7.281632 -4.197616 -1.585072
C 8.580352 -4.998188 -1.622601
C -9.396899 -0.380746 1.145774
C -8.207570 -0.147501 1.830590
H 1.640907 2.624744 2.428189
H -2.379213 -0.546943 -2.313225
H -4.494332 -0.244697 1.478479
H -0.394644 0.708266 -1.306163
H -2.502689 1.006263 2.473205
H 2.412685 0.406711 0.018879
H -6.699767 -0.007676 -2.205068
H 5.781568 0.437090 1.709479
H 3.183118 -1.420855 -1.239342
H 7.574459 -1.244541 1.153436
H 4.943928 -3.074344 -1.785323
H 3.775026 4.293151 1.863636
H 2.266924 5.200758 2.116737
H 3.245855 5.539200 0.648846
H 7.069499 -3.727594 -2.567737
H 6.420535 -4.839571 -1.306061
H 8.506688 -5.805535 -2.373689
H 8.786135 -5.452492 -0.638559
H 9.430678 -4.347890 -1.889380
H -10.401312 -0.470035 1.554216
H -8.129633 -0.067553 2.915351


