%chk=000181689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181689

0 1
S -3.573332 -1.359172 -0.015159
O -2.119924 -0.504682 0.003664
O -3.612991 -2.112924 1.213634
O -3.617709 -2.049365 -1.280687
C 4.100097 -0.564304 -0.016426
C 5.230270 0.473560 0.008726
C 2.721071 0.108676 0.001028
C 6.609694 -0.198677 -0.012760
C 1.591404 -0.929876 -0.018225
C 7.739657 0.839136 0.011143
C 0.216878 -0.253464 -0.003001
C 9.120281 0.168024 -0.009445
C -0.905727 -1.290646 -0.024972
C 10.249012 1.196432 0.012226
C -4.667985 -0.034213 0.020745
C -5.115690 0.532388 -1.177984
C -5.107111 0.473869 1.248515
C -6.003189 1.611759 -1.148794
C -5.994603 1.553261 1.277652
C -6.440178 2.121756 0.078995
H 4.197560 -1.247020 0.849750
H 4.196330 -1.203171 -0.915564
H 5.132259 1.158198 -0.855757
H 5.136588 1.110513 0.909414
H 2.622913 0.788311 -0.867663
H 2.626837 0.751110 0.897997
H 6.703542 -0.836431 -0.912826
H 6.708485 -0.882527 0.852270
H 1.690240 -1.607634 0.852465
H 1.688013 -1.572559 -0.915333
H 7.642816 1.523295 -0.853620
H 7.647143 1.477982 0.910365
H 0.104483 0.391027 0.892009
H 0.103928 0.429581 -0.868744
H 9.214605 -0.471142 -0.909099
H 9.219927 -0.514248 0.857383
H -0.901597 -1.896038 -0.950724
H -0.891276 -1.945723 0.866207
H 10.206909 1.823133 0.910291
H 10.203110 1.864474 -0.855333
H 11.229823 0.708194 -0.001309
H -4.778108 0.127996 -2.139164
H -4.762874 0.023690 2.186686
H -6.353472 2.054055 -2.080545
H -6.338207 1.950080 2.232091
H -7.132001 2.965214 0.101777


%chk=000181689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181689

0 1
S -3.681056 -1.410375 -0.000804
O -2.150189 -0.343422 0.039961
O -3.767395 -2.248328 1.385653
O -3.734198 -2.184484 -1.425818
C 4.184840 -0.504525 -0.011827
C 5.366945 0.489954 0.029373
C 2.802541 0.184303 0.041037
C 6.747666 -0.201900 -0.029039
C 1.627317 -0.818215 -0.000197
C 7.933584 0.788069 0.010763
C 0.245744 -0.120731 0.043522
C 9.312875 0.092703 -0.050666
C -0.897665 -1.143711 0.006817
C 10.493181 1.087263 -0.011748
C -4.924195 -0.002868 0.015968
C -5.357397 0.500243 -1.220465
C -5.377575 0.454322 1.262939
C -6.313506 1.541955 -1.196843
C -6.333190 1.496814 1.262202
C -6.793756 2.038064 0.038436
H 4.273572 -1.213939 0.837484
H 4.253979 -1.116324 -0.935637
H 5.277878 1.201484 -0.818220
H 5.301473 1.099881 0.954733
H 2.712357 0.891762 -0.809373
H 2.731728 0.795811 0.964520
H 6.812051 -0.812348 -0.954260
H 6.836483 -0.913710 0.818446
H 1.715829 -1.520819 0.854107
H 1.703362 -1.432618 -0.921082
H 7.846493 1.501027 -0.835982
H 7.873047 1.397881 0.936680
H 0.157083 0.487995 0.963350
H 0.142326 0.568319 -0.816191
H 9.371837 -0.516779 -0.975668
H 9.399180 -0.619362 0.795542
H -0.865499 -1.745052 -0.922658
H -0.860944 -1.814417 0.887396
H 10.475424 1.687497 0.917665
H 10.446751 1.790803 -0.864561
H 11.466639 0.564985 -0.057735
H -4.976584 0.083390 -2.158004
H -5.012264 0.003127 2.190660
H -6.679776 1.961579 -2.139220
H -6.714532 1.881810 2.213345
H -7.534563 2.844785 0.047297


