%chk=000116961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116961

0 1
S -10.027054 1.601956 -0.022482
O -5.234241 0.137210 -0.017609
O -6.668737 -1.607755 -0.013302
C 3.480351 -0.456171 0.006128
C 2.174890 0.350656 -0.000895
C 4.708334 0.464336 0.005403
C 0.947082 -0.570056 0.000077
C 6.013878 -0.342374 0.012625
C -0.357836 0.237501 -0.007042
C 7.242073 0.577884 0.012130
C -1.585166 -0.683738 -0.005872
C 8.547333 -0.228877 0.019192
C -2.885784 0.127136 -0.012849
C 9.776896 0.690446 0.018875
C -4.098504 -0.795701 -0.011880
C 11.079024 -0.107395 0.025931
C -6.493404 -0.412099 -0.018087
C -7.501128 0.706900 -0.025929
C -8.916057 0.154709 -0.003480
H 3.513117 -1.127306 -0.873773
H 3.508382 -1.119615 0.892001
H 2.147792 1.014029 -0.886907
H 2.143208 1.022001 0.878937
H 4.676257 1.135603 0.885192
H 4.681139 1.127681 -0.880541
H 0.980268 -1.241365 -0.879801
H 0.975627 -1.233310 0.886204
H 6.046671 -1.013514 -0.867228
H 6.041649 -1.005852 0.898440
H -0.389336 0.909278 0.872775
H -0.384813 0.901003 -0.893267
H 7.214675 1.241361 -0.873671
H 7.209755 1.248870 0.892091
H -1.551376 -1.354568 -0.886879
H -1.555798 -1.346436 0.881424
H 8.581412 -0.900225 -0.860233
H 8.576391 -0.892911 0.904330
H -2.925523 0.795901 -0.896679
H -2.930113 0.803697 0.864821
H 9.750289 1.353997 -0.867558
H 9.745235 1.361374 0.899570
H -4.176852 -1.427926 -0.912081
H -4.180499 -1.421243 0.892664
H 11.154994 -0.748108 0.911786
H 11.950430 0.556793 0.025802
H 11.160177 -0.755260 -0.854245
H -7.325698 1.349665 -0.921119
H -7.308973 1.379048 0.843792
H -9.107299 -0.498166 -0.877972
H -9.093097 -0.463190 0.898844
H -11.213240 0.957726 -0.007752


%chk=000116961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116961

0 1
S -10.411877 1.398753 -0.041423
O -5.374113 0.258442 -0.013790
O -6.763460 -1.614308 -0.012754
C 3.527257 -0.421574 0.011596
C 2.211844 0.389487 0.007775
C 4.792951 0.465043 0.010222
C 0.946043 -0.496967 0.008493
C 6.108905 -0.345237 0.013224
C -0.367786 0.316306 0.003317
C 7.374522 0.541739 0.011281
C -1.633232 -0.570723 0.003407
C 8.690966 -0.267834 0.013920
C -2.940712 0.256295 -0.003830
C 9.956337 0.620323 0.011551
C -4.177443 -0.641204 -0.004187
C 11.266724 -0.196582 0.014250
C -6.618159 -0.369420 -0.018259
C -7.733579 0.665914 -0.031685
C -9.119081 0.005777 -0.018690
H 3.547779 -1.090408 -0.874365
H 3.545965 -1.085225 0.901487
H 2.193917 1.053253 -0.882006
H 2.191656 1.058118 0.893854
H 4.772894 1.133713 0.896356
H 4.774136 1.129047 -0.879442
H 0.967023 -1.165873 -0.877311
H 0.963828 -1.160073 0.898715
H 6.129167 -1.014097 -0.872759
H 6.128301 -1.009084 0.902989
H -0.388763 0.984735 0.889133
H -0.385113 0.979106 -0.886801
H 7.355085 1.205715 -0.878461
H 7.354478 1.210552 0.897377
H -1.610389 -1.239311 -0.882237
H -1.615402 -1.232196 0.894488
H 8.712764 -0.936769 -0.872037
H 8.712426 -0.931613 0.903756
H -2.966175 0.911425 -0.895798
H -2.971671 0.918664 0.882594
H 9.933724 1.283118 -0.877697
H 9.933387 1.288377 0.896841
H -4.224085 -1.292698 -0.896587
H -4.231484 -1.283441 0.894471
H 11.327138 -0.844745 0.909041
H 12.155753 0.460803 0.012405
H 11.327444 -0.850168 -0.876565
H -7.608289 1.304181 -0.927027
H -7.603967 1.333254 0.841340
H -9.258562 -0.632366 -0.904430
H -9.256965 -0.601388 0.888877
H -11.525305 0.574761 -0.034718


