%chk=000229741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229741

0 1
S -1.617941 -0.410323 -1.291589
O 1.902064 -0.133106 1.969358
O -0.499091 -0.504155 -0.015363
O 0.994397 -2.532197 -0.102949
O 3.835211 -0.824350 0.961903
O 1.872877 2.549356 -0.519283
O -1.750731 -1.747251 -1.817533
O -1.111192 0.650032 -2.137956
O 1.786282 -3.105222 -2.147103
O 4.688367 -2.084934 2.635868
O 0.639161 3.604173 -1.980872
O -0.309940 3.033463 0.051421
C 0.850244 -0.101428 -0.202257
C 1.789897 -1.337778 -0.112998
C 1.192196 0.743749 1.053565
C 2.469814 -1.232154 1.269729
C 2.122014 1.931975 0.776016
C 0.991730 -3.314789 -1.265879
C -3.002582 0.064744 -0.422935
C 4.878667 -1.291683 1.749925
C -3.055461 1.333450 0.173211
C -4.087457 -0.814356 -0.287921
C -0.098318 -4.307617 -1.145283
C 0.615113 3.062013 -0.730895
C 6.143443 -0.671503 1.276220
C -4.186515 1.723293 0.888153
C -5.219219 -0.427881 0.424359
C -5.276757 0.845938 1.021993
C -6.491437 1.264234 1.777488
C -0.684375 3.770071 -2.584180
H 0.981978 0.454328 -1.160540
H 2.534732 -1.366941 -0.947068
H 0.273695 1.034678 1.615172
H 2.440184 -2.105278 1.947056
H 2.051103 2.703929 1.560674
H 3.177446 1.603237 0.647219
H -2.204990 2.028726 0.083671
H -4.045290 -1.810032 -0.745700
H 0.107560 -5.212601 -1.733227
H -0.305253 -4.592743 -0.102786
H -1.038344 -3.851262 -1.538544
H 6.566847 -0.010112 2.049504
H 6.004672 -0.071309 0.361880
H 6.900120 -1.443453 1.059784
H -4.218822 2.710237 1.348887
H -6.059484 -1.113330 0.523018
H -7.230847 1.725380 1.102845
H -6.269486 2.004047 2.560291
H -6.993159 0.419751 2.271664
H -0.434374 4.290935 -3.515446
H -1.103165 2.767948 -2.777269
H -1.327885 4.366800 -1.933700


%chk=000229741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229741

0 1
S -1.778286 -0.546061 -1.372025
O 1.807855 -0.121451 1.947849
O -0.513829 -0.832970 0.021020
O 1.384272 -2.745580 -0.239286
O 3.944083 -0.869668 1.133616
O 1.837071 2.433418 -0.843080
O -2.167073 -1.983279 -2.002491
O -1.178821 0.639341 -2.308883
O 1.352415 -2.404200 -2.543573
O 4.491537 -2.077719 3.067844
O 0.541700 3.490001 -2.302877
O -0.322226 3.063438 -0.160788
C 0.813813 -0.277476 -0.239569
C 1.917038 -1.383763 -0.110949
C 1.153094 0.711136 0.898946
C 2.499904 -1.218318 1.305387
C 2.116141 1.860820 0.503595
C 1.077669 -3.131825 -1.565982
C -3.196525 0.074298 -0.316937
C 4.840833 -1.337585 2.128395
C -3.119693 1.372547 0.215536
C -4.272798 -0.802149 -0.109585
C 0.370920 -4.460441 -1.588512
C 0.590481 3.005616 -1.023147
C 6.227822 -0.802019 1.858431
C -4.210679 1.806561 0.999272
C -5.347154 -0.334977 0.678402
C -5.333898 0.968982 1.240475
C -6.504333 1.468975 2.065495
C -0.800338 3.928246 -2.763833
H 0.837358 0.189639 -1.242169
H 2.690082 -1.217044 -0.881126
H 0.232831 1.106503 1.348841
H 2.421417 -2.104500 1.952843
H 2.066134 2.665659 1.257098
H 3.147869 1.490898 0.408950
H -2.252741 2.021405 0.042960
H -4.269954 -1.804402 -0.548951
H 0.668226 -5.028833 -2.483541
H 0.568277 -5.038835 -0.674039
H -0.714342 -4.257865 -1.657238
H 6.258562 0.277543 2.092325
H 6.488069 -0.917108 0.793439
H 6.958380 -1.327627 2.489999
H -4.181492 2.811180 1.436068
H -6.202393 -0.995099 0.860673
H -7.217551 2.031465 1.432324
H -6.172184 2.150461 2.867725
H -7.061249 0.636749 2.528683
H -0.615446 4.393496 -3.741277
H -1.447138 3.040608 -2.861477
H -1.236010 4.650508 -2.053257


