%chk=000193784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193784

0 1
S -5.626126 -0.412976 -0.135979
O -4.415107 0.680368 0.197933
O -6.739585 0.497348 0.699809
O -5.914337 -0.378049 -1.529640
O -5.391166 -1.634193 0.556281
C 1.277574 0.526652 -0.404888
C -0.169470 0.642316 0.178044
C 2.018372 -0.696987 0.221344
C 3.415485 -0.725877 -0.399181
C -0.909989 -0.696897 -0.146951
C 4.227376 0.556818 0.010426
C 2.079729 1.839746 -0.245897
C 1.248467 -2.000759 -0.048994
C -0.191685 -1.909813 0.467667
C -0.931573 1.787086 -0.547158
C 3.553946 1.745743 -0.688813
C -2.381995 -0.650725 0.299583
C 4.415429 -1.874767 -0.131129
C -0.132083 0.923903 1.687557
C -2.414250 1.853594 -0.167552
C -3.097086 0.503076 -0.404953
C 5.630551 0.144764 -0.430088
C 4.304996 0.803746 1.529020
C 5.737857 -1.193560 -0.444096
H 1.182257 0.330491 -1.501933
H 2.091621 -0.554893 1.325708
H 3.281725 -0.697557 -1.513738
H -0.895150 -0.824309 -1.259938
H 2.044965 2.165959 0.813177
H 1.586250 2.641371 -0.827117
H 1.769688 -2.847289 0.436332
H 1.249298 -2.230144 -1.131466
H -0.738647 -2.839454 0.220423
H -0.198989 -1.843603 1.572163
H -0.832111 1.664622 -1.642649
H -0.457964 2.759394 -0.310891
H 3.621452 1.632607 -1.786157
H 4.076217 2.689435 -0.450869
H -2.879067 -1.619005 0.093269
H -2.450897 -0.524894 1.399519
H 4.229165 -2.751041 -0.769067
H 4.383756 -2.224974 0.914179
H 0.332746 1.891789 1.902930
H -1.138316 0.937588 2.120509
H 0.443082 0.158619 2.222645
H -2.531672 2.143107 0.896813
H -2.927635 2.643923 -0.747582
H -3.248000 0.306850 -1.490252
H 6.388620 0.876401 -0.631332
H 4.965008 1.648048 1.751702
H 3.321734 1.028345 1.956228
H 4.700053 -0.071467 2.055889
H 6.611818 -1.782129 -0.658792
H -6.395435 1.335153 1.074353


%chk=000193784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193784

0 1
S -5.701984 -0.622177 -0.271388
O -4.531225 0.744258 0.193091
O -7.125193 0.498253 -0.098165
O -5.445449 -1.031463 -1.805093
O -5.859353 -1.755192 0.846053
C 1.279194 0.573100 -0.250754
C -0.174600 0.695297 0.353454
C 2.045396 -0.685933 0.292748
C 3.417499 -0.720045 -0.402073
C -0.925508 -0.645591 0.017108
C 4.291706 0.542068 -0.088554
C 2.121257 1.881989 -0.135525
C 1.235439 -1.980243 0.040698
C -0.205516 -1.888036 0.585395
C -0.949893 1.848317 -0.358419
C 3.568118 1.765548 -0.699268
C -2.423090 -0.610805 0.413820
C 4.402269 -1.912915 -0.249233
C -0.127025 0.971391 1.881860
C -2.458851 1.908915 0.004712
C -3.127903 0.554073 -0.292590
C 5.626633 0.093989 -0.695761
C 4.544835 0.767708 1.436119
C 5.704739 -1.266117 -0.732374
H 1.139214 0.383372 -1.342395
H 2.195749 -0.581138 1.387013
H 3.215968 -0.663065 -1.496853
H -0.889092 -0.740386 -1.093978
H 2.172344 2.200396 0.923231
H 1.604554 2.697000 -0.677395
H 1.761144 -2.842736 0.494389
H 1.197630 -2.171559 -1.053520
H -0.772655 -2.799613 0.310311
H -0.194954 -1.849989 1.693294
H -0.845896 1.725382 -1.457095
H -0.502898 2.826892 -0.102038
H 3.530021 1.651565 -1.801685
H 4.118152 2.705094 -0.488405
H -2.889758 -1.573498 0.123014
H -2.546897 -0.510570 1.508161
H 4.109180 -2.793363 -0.850034
H 4.495341 -2.257715 0.803304
H 0.299039 1.971004 2.085108
H -1.130914 0.949794 2.340870
H 0.490934 0.232556 2.419636
H -2.591468 2.147865 1.075614
H -2.957009 2.707054 -0.575306
H -3.159342 0.376412 -1.387546
H 6.434549 0.788274 -0.954471
H 5.290179 1.573467 1.574991
H 3.632075 1.061272 1.984203
H 4.949484 -0.144333 1.910262
H 6.583060 -1.845082 -1.037712
H -6.738326 1.422759 -0.144427


