%chk=000091285.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091285

0 1
 S   -7.789600       1.560700     -0.3069000    
 O   -1.436700       1.883800     -2.1700000E-02
 O    1.658500      -2.671200      0.2705000    
 O    8.924700      0.4157000      4.6999999E-03
 O   -7.826500       2.153100       1.216500    
 O   -7.103100       2.546800      -1.129000    
 O   -9.130800       1.113900     -0.6500000    
 N   -2.647700     -0.5848000      0.5299000    
 N   -3.226200     -0.7968000     -0.5610000    
 N    2.869800     -0.2026000     -0.2802000    
 N    3.449300      8.9999996E-03  0.8109000    
 C   -1.266500     -0.4822000      0.3253000    
 C    1.483200     -0.3057000     -7.5599998E-02
 C  -0.6794000      0.7534000      5.2700002E-02
 C   0.9013000      -1.540800      0.1963000    
 C  -0.4761000      -1.629400      0.3971000    
 C   -6.784500      0.1361000     -0.2210000    
 C   0.6981000      0.8418000     -0.1481000    
 C   -4.612800     -0.9001000     -0.3561000    
 C   -5.408500      0.2393000     -0.4252000    
 C   -7.357800      -1.106000      5.1500000E-02
 C   -5.179400      -2.141700     -8.4500000E-02
 C   -6.555300      -2.244900      0.1198000    
 C    4.829100      0.1115000      0.6078000    
 C    7.581800      0.3162000      0.2034000    
 C    5.630900      -1.027900      0.6774000    
 C    5.403600       1.353100      0.3359000    
 C    7.007300     -0.9254000      0.4753000    
 C    6.779900       1.455400      0.1337000    
 C    9.377100       1.449600     -0.8681000    
 C   -1.628600       2.615700       1.187100    
 C    1.850000      -3.403100     -0.9384000    
 C    10.66490       1.007700      -1.530100    
 H  -0.9309000      -2.593800      0.6113000    
 H    1.153700       1.805700     -0.3621000    
 H   -4.947000       1.201500     -0.6317000    
 H   -8.425600      -1.210200      0.2219000    
 H   -4.561400      -3.034000     -2.9700000E-02
 H   -7.001400      -3.211800      0.3337000    
 H    5.192400      -1.999700      0.8888000    
 H    4.787500       2.247300      0.2864000    
 H    7.626800      -1.816400      0.5303000    
 H    7.190400       2.444300     -4.8000000E-02
 H    8.652200       1.657200      -1.665300    
 H    9.553400       2.360600     -0.2858000    
 H  -0.6694000       2.973200       1.574900    
 H   -2.260900       3.480200      0.9671000    
 H   -2.130700       1.997600       1.938100    
 H    2.352200      -2.785200      -1.689400    
 H   0.8907000      -3.760300      -1.326100    
 H    2.482100      -4.267800     -0.7185000    
 H    10.50760      8.9299999E-02  -2.105400    
 H    11.42830      0.7844000     -0.7775000    
 H    11.04690       1.783000      -2.200200    
 H   -6.954000       2.429400       1.583900    


%chk=000091285-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091285

0 1
S -7.756230 1.813901 0.506903
O -0.996621 2.158657 0.083414
O 1.052362 -3.089475 -0.276880
O 9.157160 0.205421 -0.529557
O -7.888738 1.781060 2.363332
O -6.724619 2.986832 0.082046
O -9.253930 1.782077 -0.106247
N -2.805426 -0.219645 0.070670
N -3.490492 -1.343392 0.039167
N 2.869103 -0.707511 -0.253923
N 3.529535 0.432384 -0.237920
C -1.402615 -0.360741 -0.012737
C 1.455118 -0.566529 -0.174480
C -0.586195 0.834813 0.000856
C 0.637226 -1.762988 -0.188816
C -0.756970 -1.624206 -0.107875
C -6.926690 0.130285 0.348331
C 0.811577 0.692844 -0.080471
C -4.903520 -1.154617 0.131118
C -5.535838 0.114735 0.276590
C -7.753666 -1.006491 0.287960
C -5.699834 -2.330069 0.073466
C -7.107136 -2.256724 0.146806
C 4.939818 0.306861 -0.314364
C 7.770700 0.320524 -0.455639
C 5.664144 -0.924321 -0.401307
C 5.660402 1.531671 -0.299864
C 7.059728 -0.915053 -0.470959
C 7.065271 1.550806 -0.369547
C 9.968171 1.445950 -0.517385
C -2.402066 2.584177 0.189812
C 2.459774 -3.504854 -0.365748
C 11.429416 1.017571 -0.605560
H -1.378889 -2.522804 -0.117916
H 1.435097 1.590306 -0.070683
H -4.937256 1.028464 0.315492
H -8.842841 -0.916261 0.334638
H -5.187180 -3.290895 -0.036005
H -7.706295 -3.170993 0.095736
H 5.106939 -1.865151 -0.411759
H 5.087941 2.462542 -0.232674
H 7.637255 -1.842207 -0.537941
H 7.594103 2.507548 -0.356372
H 9.677136 2.077583 -1.380813
H 9.763955 2.003176 0.419075
H -2.871114 2.176680 1.101250
H -2.342364 3.682253 0.237396
H -2.983599 2.261315 -0.689812
H 3.028132 -3.180521 0.522326
H 2.941582 -3.090235 -1.267238
H 2.404850 -4.603932 -0.418143
H 11.615459 0.452574 -1.534512
H 11.701369 0.378266 0.251251
H 12.084333 1.907593 -0.600084
H -8.384632 2.605450 2.642195


