%chk=000071350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071350

0 1
 S    6.369400       2.120700      0.5724000    
 O   -7.948500      -1.920200      0.1829000    
 O   -5.976000      -2.993300      0.4757000    
 O   -4.033400       1.635300     -0.1891000    
 N    5.396800     -0.2154000      4.3800000E-02
 N   -2.206100      0.1804000      1.7000000E-03
 C    7.452300      -1.717100      5.8100000E-02
 C    6.796900      -2.858000      0.8639000    
 C    7.072400      -2.501200      -1.215100    
 C    7.087500      -3.774000     -0.3432000    
 C    6.761900     -0.3567000      0.2001000    
 C   -5.959700     -0.5706000      3.8400002E-02
 C   -6.399300     -5.2800000E-02  -1.364700    
 C   -6.527500      0.3960000       1.121500    
 C   -4.417900     -0.7341000      0.1464000    
 C    7.458100      0.7981000      0.4901000    
 C   -6.593000      -1.958900      0.2573000    
 C    5.077800       1.047900      0.2178000    
 C   -5.986100     -0.9285000      -2.542800    
 C   -6.248900     -5.7000001E-03   2.566200    
 C   -3.558500      0.5165000     -3.6100000E-02
 C    3.754700       1.593900      0.1362000    
 C   -1.096400       1.049000     -0.1287000    
 C    2.646100      0.8639000     -0.1355000    
 C    1.293600       1.395300     -0.1975000    
 C   0.2003000      0.5387000     -6.8599999E-02
 C   -1.299900       2.416000     -0.3178000    
 C    1.090100       2.762200     -0.3866000    
 C  -0.2066000       3.272600     -0.4467000    
 H    8.539200      -1.667400      0.2107000    
 H    7.304200      -3.134100       1.792500    
 H    5.726300      -2.739900       1.069900    
 H    6.084800      -2.275600      -1.634800    
 H    7.809700      -2.479300      -2.022400    
 H    8.065200      -4.267500     -0.2984000    
 H    6.320800      -4.517800     -0.5726000    
 H   -6.013900      0.9586000      -1.534700    
 H   -7.492800      4.3699998E-02  -1.394200    
 H   -7.617300      0.4716000       1.008000    
 H   -6.152400       1.413000      0.9661000    
 H   -4.157100      -1.159600       1.124800    
 H   -4.074900      -1.474300     -0.5892000    
 H    8.518600      0.9293000      0.6528000    
 H   -6.362300      -1.950600      -2.442300    
 H   -4.898700     -0.9654000      -2.653600    
 H   -6.394300     -0.5156000      -3.471400    
 H   -5.178900      2.1199999E-02   2.790600    
 H   -6.742500      0.6961000       3.246900    
 H   -6.628500      -1.006400       2.791500    
 H   -1.970100     -0.8001000      0.1388000    
 H    3.662800       2.656900      0.3413000    
 H   -8.347500      -2.805200      0.3233000    
 H    2.742400     -0.2061000     -0.3090000    
 H   0.3534000     -0.5285000      8.0300003E-02
 H   -2.271000       2.886500     -0.3765000    
 H    1.906100       3.466400     -0.5173000    
 H  -0.3645000       4.336500     -0.5997000    


%chk=000071350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071350

0 1
S 6.707999 2.231928 0.011938
O -7.738324 -2.190326 0.235923
O -5.668251 -3.191695 0.012889
O -4.067324 1.679530 -0.402223
N 5.412572 -0.107655 0.051764
N -2.149525 0.351213 -0.182087
C 7.216282 -1.845820 0.169178
C 6.577853 -2.777555 1.269742
C 6.658090 -2.845376 -0.915615
C 6.503589 -3.928048 0.207549
C 6.779773 -0.411508 0.107556
C -5.833435 -0.697526 -0.053428
C -6.564469 0.003850 -1.253029
C -6.204245 0.068287 1.265274
C -4.297738 -0.795398 -0.270789
C 7.623093 0.696696 0.096454
C -6.347907 -2.139200 0.060306
C 5.162912 1.197491 -0.002701
C -6.412295 -0.688693 -2.623994
C -5.582378 -0.500644 2.558177
C -3.532070 0.536290 -0.286297
C 3.871233 1.850849 -0.072132
C -1.108074 1.323035 -0.213013
C 2.684265 1.159020 -0.083510
C 1.335562 1.732572 -0.158574
C 0.225542 0.846445 -0.140326
C -1.350048 2.719431 -0.307643
C 1.077981 3.132962 -0.253459
C -0.245647 3.602237 -0.326344
H 8.319199 -1.897028 0.210972
H 7.171017 -2.950292 2.182786
H 5.574713 -2.410230 1.545245
H 5.678900 -2.498133 -1.286703
H 7.316540 -3.072938 -1.770030
H 7.381037 -4.597006 0.259981
H 5.588334 -4.541573 0.192908
H -6.171796 1.034213 -1.304140
H -7.638075 0.064365 -0.996074
H -7.305968 0.060645 1.354670
H -5.890923 1.118161 1.126684
H -3.865688 -1.457853 0.502621
H -4.106896 -1.313960 -1.230832
H 8.710481 0.711403 0.131422
H -6.785141 -1.730143 -2.605790
H -5.362972 -0.707523 -2.971260
H -6.995523 -0.142284 -3.387076
H -4.478717 -0.437213 2.552094
H -5.936254 0.074956 3.432458
H -5.862216 -1.558489 2.722135
H -1.837599 -0.619340 -0.090219
H 3.883890 2.945923 -0.116621
H -8.018716 -3.143048 0.304073
H 2.752365 0.063552 -0.032520
H 0.414511 -0.233953 -0.069159
H -2.375656 3.085680 -0.365075
H 1.907422 3.847140 -0.272740
H -0.434385 4.678977 -0.399897


