%chk=000206608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206608

0 1
S 7.167119 -0.422347 -0.247644
S -7.163098 0.414714 -0.259989
O 7.131827 -1.288340 0.961948
O -7.128577 1.302647 0.933614
C 0.617703 0.454519 -0.218573
C -0.613713 -0.461466 -0.210587
C 1.919710 -0.357711 -0.221120
C -1.915714 0.350565 -0.229114
C 3.151378 0.557574 -0.206672
C -3.147396 -0.564312 -0.198944
C 4.452561 -0.259418 -0.229421
C -4.448559 0.252131 -0.237276
C 5.677500 0.645432 -0.193135
C -5.673530 -0.651895 -0.185014
C 8.409344 0.892067 0.063233
C -8.405546 -0.893796 0.074049
C 9.778193 0.245749 0.021694
C -9.774368 -0.248383 0.019573
H 0.586824 1.120035 -1.102535
H 0.593046 1.123647 0.663454
H -0.582163 -1.143186 -1.082091
H -0.589731 -1.114199 0.683660
H 1.949690 -1.018423 -1.108812
H 1.944155 -1.032967 0.656761
H -1.940885 1.041807 0.636215
H -1.944948 0.994903 -1.128791
H 3.128271 1.202387 0.693271
H 3.121099 1.245471 -1.072785
H -3.124876 -1.192806 0.712485
H -3.116566 -1.267720 -1.052494
H 4.473441 -0.953888 0.640272
H 4.469148 -0.905663 -1.129783
H -4.464695 0.881766 -1.149341
H -4.469857 0.962415 0.619537
H 5.661615 1.276733 0.711647
H 5.700316 1.328729 -1.057045
H -5.658165 -1.266419 0.731257
H -5.695869 -1.350995 -1.036196
H 8.240620 1.377580 1.040916
H 8.309029 1.676373 -0.704117
H -8.237562 -1.361225 1.060634
H -8.304640 -1.692092 -0.678653
H 9.872196 -0.551149 0.777284
H 10.003818 -0.201190 -0.954523
H 10.569408 0.977526 0.233261
H -9.868950 0.562311 0.760267
H -9.999268 0.180462 -0.964892
H -10.565735 -0.976152 0.244014


%chk=000206608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206608

0 1
S 7.336825 -0.541216 -0.209478
S -7.333043 0.533242 -0.227298
O 7.088225 -1.200749 1.317287
O -7.081294 1.228633 1.282987
C 0.633961 0.436818 -0.516239
C -0.629999 -0.452346 -0.510733
C 1.948945 -0.374565 -0.508022
C -1.944834 0.359317 -0.515646
C 3.212100 0.516519 -0.505649
C -3.208283 -0.531222 -0.501243
C 4.520366 -0.311617 -0.484753
C -4.516260 0.297645 -0.495483
C 5.764810 0.579626 -0.463861
C -5.760924 -0.592728 -0.460129
C 8.606956 0.921644 0.125556
C -8.600716 -0.921410 0.145665
C 9.756427 0.355973 0.957048
C -9.755180 -0.334551 0.955431
H 0.614222 1.096779 -1.408870
H 0.612088 1.108121 0.367468
H -0.609240 -1.124828 -1.393939
H -0.609278 -1.111112 0.382396
H 1.972832 -1.044408 -1.392822
H 1.967743 -1.034848 0.383419
H -1.964279 1.032647 0.365954
H -1.967740 1.016080 -1.410228
H 3.186862 1.182858 0.381266
H 3.197517 1.177330 -1.397359
H -3.184603 -1.183543 0.396095
H -3.192569 -1.205998 -1.382404
H 4.536818 -0.954675 0.417457
H 4.545354 -0.982969 -1.366516
H -4.540390 0.953777 -1.388652
H -4.533459 0.956139 0.395501
H 5.766040 1.265013 0.401739
H 5.929720 1.134343 -1.404988
H -5.762713 -1.263073 0.417175
H -5.925520 -1.163653 -1.391552
H 8.029409 1.685086 0.673688
H 8.901499 1.296310 -0.869563
H -8.023447 -1.666588 0.718685
H -8.890715 -1.326650 -0.838792
H 9.345731 -0.179531 1.833052
H 10.378480 -0.349711 0.378288
H 10.406620 1.173531 1.318710
H -9.349997 0.224563 1.819084
H -10.374798 0.354556 0.354454
H -10.406667 -1.142758 1.335312


