%chk=000192051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192051

0 1
S -2.928101 1.226171 1.181971
O -4.088648 -3.132476 -0.813455
O 5.665917 1.890984 -0.641082
O -0.333335 2.156220 -0.721277
O -0.770335 3.772985 0.771239
C -0.069071 -0.943211 1.055113
C -1.587630 -1.164206 0.837173
C 0.716384 -0.979185 -0.274084
C -1.875675 -2.478356 0.039028
C 2.249801 -0.711996 -0.090389
C 0.479525 -2.342290 -0.954969
C -1.001138 -2.596274 -1.229815
C -2.367271 -0.088260 0.042700
C 0.204080 0.331475 1.872094
C 2.482068 0.487225 0.820258
C -3.315171 -2.269999 -0.488875
C 2.832488 -0.443541 -1.506923
C -3.591537 -0.778995 -0.563057
C -1.791785 -3.719226 0.917227
C 1.571263 0.906484 1.707606
C 2.964035 -1.909635 0.566308
C 3.838747 1.137494 0.775515
C 4.266527 0.084426 -1.487978
C 4.328100 1.374527 -0.660813
C -3.585039 2.526530 0.091782
C -2.501392 3.056125 -0.832287
C -1.169407 3.081877 -0.130691
H 0.286855 -1.811061 1.672025
H -2.047091 -1.269641 1.853087
H 0.308823 -0.167954 -0.930049
H 0.880884 -3.159173 -0.322496
H 1.042895 -2.393694 -1.907431
H -1.353362 -1.881936 -2.001406
H -1.133634 -3.603894 -1.672731
H -1.710909 0.359460 -0.741870
H 0.021014 0.118824 2.947060
H -0.518639 1.140460 1.623721
H 2.184194 0.282271 -2.037678
H 2.789959 -1.375135 -2.103932
H -3.784902 -0.467763 -1.605093
H -4.534590 -0.558123 -0.020048
H -0.757793 -3.937595 1.206732
H -2.379883 -3.614678 1.836579
H -2.183904 -4.601748 0.390615
H 1.777585 1.742379 2.380644
H 4.023091 -1.692663 0.743143
H 2.514615 -2.149877 1.536669
H 2.920860 -2.807766 -0.056859
H 3.844436 2.103775 1.321439
H 4.560472 0.496994 1.324132
H 4.956490 -0.675500 -1.077008
H 4.620956 0.282574 -2.517911
H 3.772457 2.207067 -1.150139
H -4.457302 2.161923 -0.480377
H -3.954449 3.319280 0.779165
H 6.290568 1.259684 -0.240516
H -2.431720 2.445373 -1.760908
H -2.747848 4.087759 -1.172919
H 0.553875 2.074602 -0.258460


%chk=000192051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192051

0 1
S -2.996543 1.292328 1.214948
O -4.166016 -3.312093 -0.727131
O 5.626875 2.096412 -0.644270
O -0.023813 2.289844 -0.668393
O -0.745057 4.096623 0.614142
C -0.112106 -1.001779 1.095247
C -1.646021 -1.237243 0.874050
C 0.685114 -1.023329 -0.244338
C -1.938331 -2.563483 0.088226
C 2.226419 -0.721456 -0.084391
C 0.422208 -2.374154 -0.959664
C -1.077540 -2.606178 -1.226463
C -2.465031 -0.150794 0.081024
C 0.162786 0.257705 1.961922
C 2.454521 0.482842 0.849583
C -3.381264 -2.385525 -0.413401
C 2.797389 -0.378712 -1.506274
C -3.702048 -0.887551 -0.490694
C -1.769403 -3.849097 0.918219
C 1.517076 0.889533 1.752270
C 2.994074 -1.942519 0.513543
C 3.822568 1.159047 0.801408
C 4.227503 0.207766 -1.503689
C 4.288966 1.476672 -0.637094
C -3.426888 2.654975 -0.034293
C -2.284312 3.036084 -1.006414
C -0.970524 3.237049 -0.263068
H 0.235083 -1.882571 1.678943
H -2.114179 -1.337123 1.878486
H 0.286574 -0.210137 -0.887073
H 0.814333 -3.204705 -0.342030
H 0.961858 -2.414858 -1.924935
H -1.434954 -1.833105 -1.937787
H -1.241052 -3.584916 -1.715949
H -1.839789 0.290936 -0.711699
H 0.056004 -0.007718 3.034739
H -0.615927 1.025148 1.791363
H 2.119353 0.357849 -1.985602
H 2.778927 -1.286096 -2.139117
H -3.963423 -0.596789 -1.524750
H -4.598513 -0.697228 0.129204
H -0.707329 -4.075352 1.117887
H -2.287729 -3.762946 1.890983
H -2.213666 -4.703437 0.377221
H 1.756048 1.736967 2.413772
H 4.042050 -1.685317 0.746978
H 2.523933 -2.283332 1.453401
H 3.014492 -2.790248 -0.194690
H 3.817754 2.085408 1.403889
H 4.585911 0.487598 1.255329
H 4.952606 -0.536252 -1.111543
H 4.540807 0.450771 -2.536028
H 3.647543 2.261462 -1.079371
H -4.326457 2.359043 -0.599468
H -3.676977 3.508849 0.617314
H 6.273686 1.447467 -0.263848
H -2.148155 2.270504 -1.786501
H -2.557825 3.986070 -1.504060
H 0.775818 2.270185 -0.060557


