%chk=000276619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276619

0 1
S -2.961108 -0.683145 1.404939
S -4.476717 -1.729932 0.404577
O -5.079134 -2.632174 1.346245
O -3.846544 -2.239540 -0.789309
C 4.675336 0.244294 0.357391
C 6.010606 -0.379173 -0.071125
C 3.523194 -0.762601 0.239365
C 7.163105 0.627335 0.046997
C 2.187933 -0.138728 0.667307
C 8.498439 0.004000 -0.381566
C 1.037119 -1.146688 0.549564
C 9.650783 1.010332 -0.263333
C -0.299292 -0.518078 0.976467
C 10.987235 0.388025 -0.691806
C -1.428389 -1.529399 0.855415
C 12.137938 1.385372 -0.576281
C -5.550875 -0.445384 0.042807
C -5.377915 0.308417 -1.125228
C -6.606467 -0.147320 0.914506
C -7.301973 1.666204 -0.539713
C -6.246744 1.358481 -1.417385
C -7.477717 0.902159 0.628129
C -8.239440 2.782007 -0.855094
H 4.749116 0.611737 1.399159
H 4.460899 1.136370 -0.262188
H 5.937423 -0.746635 -1.112907
H 6.225485 -1.271330 0.548230
H 3.738344 -1.654487 0.859175
H 3.450529 -1.130589 -0.802394
H 7.236852 0.994624 1.088774
H 6.948738 1.519557 -0.572336
H 2.261785 0.229770 1.708909
H 1.973570 0.752901 0.046707
H 8.713007 -0.888211 0.237760
H 8.424967 -0.363289 -1.423351
H 1.252012 -2.037394 1.171470
H 0.964732 -1.515675 -0.492324
H 9.725709 1.378333 0.777926
H 9.437824 1.903097 -0.882076
H -0.218212 -0.143198 2.017861
H -0.507290 0.375032 0.351227
H 11.202664 -0.504202 -0.071870
H 10.914294 0.021039 -1.734293
H -1.263376 -2.414871 1.497845
H -1.552620 -1.891449 -0.187652
H 12.261934 1.740993 0.452882
H 13.087053 0.932183 -0.883333
H 11.974506 2.265146 -1.208950
H -4.561928 0.070001 -1.817401
H -6.753986 -0.744693 1.822603
H -6.107628 1.939838 -2.327192
H -8.295957 1.128464 1.309701
H -9.089633 2.417627 -1.454149
H -8.660917 3.247624 0.047118
H -7.761170 3.584523 -1.434401


%chk=000276619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276619

0 1
S -3.296684 -1.782367 2.528724
S -4.490168 -2.133442 0.394240
O -5.807239 -3.062097 0.629929
O -3.319561 -2.577347 -0.667240
C 4.229263 0.080008 0.489006
C 5.620725 -0.412600 0.031557
C 3.191816 -1.056870 0.627983
C 6.657147 0.725184 -0.107940
C 1.806411 -0.562762 1.101982
C 8.051631 0.232666 -0.556695
C 0.768475 -1.699669 1.241662
C 9.087089 1.370881 -0.700139
C -0.605464 -1.192974 1.743786
C 10.482863 0.876897 -1.144951
C -1.621921 -2.339939 1.871772
C 11.509623 2.020961 -1.290603
C -5.090330 -0.422204 -0.113185
C -4.216112 0.409980 -0.829612
C -6.401340 -0.059665 0.232472
C -6.009996 2.104426 -0.888876
C -4.693852 1.680710 -1.216238
C -6.851051 1.219090 -0.164371
C -6.517426 3.462885 -1.335256
H 4.329747 0.605286 1.462071
H 3.852027 0.834386 -0.233004
H 5.521545 -0.939612 -0.940577
H 5.998647 -1.165312 0.754884
H 3.574056 -1.815567 1.342605
H 3.082741 -1.576105 -0.347067
H 6.751937 1.255710 0.862853
H 6.282011 1.475320 -0.835478
H 1.917925 -0.046074 2.078232
H 1.424332 0.197563 0.389222
H 8.428137 -0.514959 0.172735
H 7.956958 -0.300728 -1.525906
H 1.159499 -2.465750 1.943331
H 0.640918 -2.206411 0.262983
H 9.181420 1.906692 0.267830
H 8.713605 2.117498 -1.432208
H -0.475173 -0.689039 2.721604
H -1.002621 -0.431562 1.044128
H 10.856464 0.133750 -0.411028
H 10.387254 0.338415 -2.110039
H -1.275474 -3.142530 2.546546
H -1.831432 -2.793328 0.876322
H 11.645032 2.556001 -0.331463
H 12.498468 1.641931 -1.608466
H 11.173646 2.761069 -2.041458
H -3.210535 0.068915 -1.095010
H -7.048870 -0.756291 0.774158
H -4.034711 2.350548 -1.780172
H -7.870088 1.529859 0.092403
H -6.969463 3.399554 -2.344028
H -7.292248 3.851984 -0.652573
H -5.701555 4.204334 -1.388038


