%chk=000291333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291333

0 1
S -2.698836 0.918205 -2.162965
S 1.784924 -0.013180 -0.474247
O -0.457393 0.181720 -0.819377
O -2.417072 -4.135029 1.739698
O -3.231136 5.733347 1.175699
O 7.667637 0.241759 -0.319805
C -2.378626 -1.187909 -0.401138
C -0.029478 -1.772648 0.383378
C -2.867734 -2.314701 0.292698
C -0.505234 -2.912112 1.059542
C -0.930169 -0.832372 -0.328225
C -1.970917 -3.207474 1.095117
C -3.270471 -0.424662 -1.157135
C 1.342468 -1.490946 0.376815
C -4.228285 -2.638170 0.235332
C 0.390232 -3.761941 1.704993
C -4.630827 -0.750464 -1.223848
C 2.247760 -2.350212 1.020607
C -5.110052 -1.856188 -0.520820
C 1.768855 -3.478395 1.677816
C -2.829756 2.309488 -1.097316
C 3.541808 0.012624 -0.340478
C -1.670574 2.834377 -0.524352
C 4.139911 0.690413 0.720548
C -4.078208 2.921215 -0.910242
C 4.313438 -0.562077 -1.360863
C -1.742529 3.994294 0.254330
C 5.533608 0.802608 0.785569
C -4.172437 4.071229 -0.136480
C 5.699047 -0.464448 -1.318352
C -2.993666 4.597315 0.439405
C 6.295757 0.223135 -0.237740
C -2.102538 6.377229 1.816555
C 8.403476 0.932602 0.719298
H -4.593420 -3.511422 0.787250
H 0.016204 -4.644540 2.231178
H -5.312704 -0.144820 -1.825641
H 3.318813 -2.135608 1.006729
H -6.168457 -2.115664 -0.560702
H 2.463072 -4.152903 2.181394
H -0.702531 2.339844 -0.679687
H 3.529387 1.138704 1.507246
H -4.974467 2.501585 -1.370200
H 3.830447 -1.084247 -2.190260
H -0.840994 4.402420 0.697249
H 5.996838 1.331259 1.610523
H -5.121078 4.574216 0.033049
H 6.329791 -0.895751 -2.092141
H -1.382085 6.715349 1.066214
H -1.646537 5.703926 2.547955
H -2.584033 7.230210 2.312667
H 8.230004 0.456573 1.688386
H 8.139593 1.993966 0.730406
H 9.441476 0.789171 0.390470


%chk=000291333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291333

0 1
S -4.136366 1.209920 -1.630731
S 1.214173 0.224562 -1.267936
O -1.401173 -0.136396 -1.812327
O -2.532800 -4.566224 1.148952
O 0.302569 4.073383 1.336931
O 6.703835 1.704108 0.877728
C -3.095769 -1.317192 -0.552138
C -0.583168 -1.761607 -0.262038
C -3.376566 -2.567785 0.093313
C -0.872349 -2.957001 0.468916
C -1.680386 -1.006728 -0.922806
C -2.275694 -3.447791 0.596554
C -4.201233 -0.478873 -0.901994
C 0.775205 -1.313683 -0.344930
C -4.704681 -3.012099 0.283908
C 0.156671 -3.703440 1.082661
C -5.527539 -0.941308 -0.698035
C 1.792067 -2.067632 0.294687
C -5.781969 -2.209553 -0.137527
C 1.488381 -3.252781 0.994748
C -2.776895 2.060347 -0.731838
C 2.879270 0.599277 -0.539248
C -1.847911 2.812445 -1.478611
C 2.971892 1.275776 0.697800
C -2.684852 2.015560 0.680268
C 4.056356 0.324276 -1.279442
C -0.819666 3.527109 -0.825858
C 4.230941 1.658461 1.214387
C -1.644258 2.697041 1.336290
C 5.315302 0.707822 -0.779740
C -0.705802 3.449796 0.583420
C 5.405608 1.371651 0.471243
C 1.291453 4.873248 0.607762
C 6.861599 2.387216 2.165458
H -4.857953 -3.981567 0.767379
H -0.113178 -4.619914 1.615317
H -6.360399 -0.280736 -0.962247
H 2.829044 -1.724177 0.240582
H -6.814525 -2.546413 -0.000104
H 2.297593 -3.820820 1.465681
H -1.902630 2.812346 -2.570994
H 2.060612 1.507304 1.260367
H -3.417103 1.446967 1.263135
H 3.983039 -0.188446 -2.244113
H -0.101210 4.093209 -1.425082
H 4.279809 2.175265 2.177278
H -1.546300 2.669274 2.425789
H 6.235579 0.504075 -1.335070
H 0.808622 5.704613 0.058446
H 1.873093 4.247084 -0.096031
H 1.958889 5.279944 1.381860
H 6.482842 1.765281 2.999449
H 6.345401 3.366786 2.166896
H 7.944831 2.538920 2.277740


