%chk=000126083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126083

0 1
 S   -3.504200      -1.805200      0.8900000    
 O   -4.324800       1.850600     -0.4234000    
 O   -4.359200      -2.962800      0.7042000    
 O   -2.143800      -1.962600       1.365100    
 N    3.283500      0.1756000     -0.1482000    
 N   -3.549500     -0.8607000     -0.5484000    
 C    1.869600      0.4723000      7.9000004E-02
 C    3.430800      -1.082600     -0.8787000    
 C    4.003900      0.1161000       1.123100    
 C    1.116600      0.5985000      -1.246000    
 C    4.907900      -1.388900      -1.114000    
 C    3.899400       1.452000       1.854500    
 C  -0.3387000      0.9266000      -1.026200    
 C   -1.257300     -0.1034000     -0.8912000    
 C    5.087900      -2.683400      -1.891700    
 C    4.659300       1.423300       3.171600    
 C  -0.7337000       2.254100     -0.9625000    
 C   -2.603100      0.2016000     -0.6876000    
 C   -2.079600       2.559000     -0.7587000    
 C   -3.014200       1.532800     -0.6213000    
 C   -4.350600     -0.7130000       2.010300    
 H    1.399500     -0.2900000      0.7152000    
 H    1.734400       1.436800      0.5755000    
 H    2.983900      -1.022800      -1.874800    
 H    2.954000      -1.915100     -0.3450000    
 H    5.076400     -3.4499999E-02  0.9774000    
 H    3.632000     -0.6972000       1.759900    
 H    1.136200     -0.3249000      -1.833700    
 H    1.576700       1.369800      -1.877900    
 H    5.390500     -0.5681000      -1.657800    
 H    5.457300      -1.544200     -0.1817000    
 H    4.288000       2.264600       1.229000    
 H    2.870600       1.702400       2.126200    
 H  -0.9325000      -1.138800     -0.9547000    
 H    4.652800      -3.530800      -1.352000    
 H    4.610500      -2.620400      -2.874800    
 H    6.151900      -2.889500      -2.045800    
 H    4.265700      0.6474000       3.836300    
 H    5.723700       1.227500       3.007000    
 H    4.568700       2.386600       3.683700    
 H  -1.3100000E-02   3.060300      -1.066400    
 H   -2.393100       3.598200     -0.7076000    
 H   -4.475700     -0.6911000     -0.9596000    
 H   -4.447700      -1.227300       2.969200    
 H   -5.341900     -0.4908000       1.611200    
 H   -3.763400      0.1970000       2.142100    
 H   -4.832000       1.039000     -0.2607000    


%chk=000126083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126083

0 1
S -3.803134 -1.784079 0.880541
O -4.398902 1.884567 -0.234414
O -4.352625 -3.264414 0.458245
O -2.421231 -1.609812 1.736782
N 3.246854 -0.095711 0.087925
N -3.697087 -0.589431 -0.909071
C 1.804913 0.205416 0.232934
C 3.514939 -1.394617 -0.582296
C 4.021987 0.098749 1.341246
C 1.191498 0.794102 -1.072120
C 4.837779 -1.404436 -1.379264
C 4.341568 1.581696 1.630120
C -0.289714 1.086448 -0.908567
C -1.252181 0.065577 -1.048412
C 5.110185 -2.773325 -2.040040
C 5.112749 1.765710 2.955209
C -0.735095 2.386568 -0.522245
C -2.632696 0.327616 -0.823431
C -2.094984 2.679626 -0.288167
C -3.043707 1.651044 -0.435234
C -5.184868 -0.876130 1.838532
H 1.213603 -0.693082 0.536773
H 1.675655 0.947436 1.042113
H 2.684688 -1.599480 -1.285771
H 3.516659 -2.240623 0.151220
H 4.977762 -0.449917 1.242881
H 3.494612 -0.345532 2.223363
H 1.353907 0.075666 -1.898166
H 1.754126 1.710148 -1.327040
H 4.789154 -0.606690 -2.144388
H 5.680159 -1.143097 -0.708968
H 4.926675 1.983027 0.781061
H 3.400881 2.166411 1.666499
H -0.940352 -0.950368 -1.321752
H 5.175097 -3.577295 -1.282326
H 4.302529 -3.044289 -2.746470
H 6.060430 -2.763741 -2.603929
H 4.527046 1.387512 3.814597
H 6.073693 1.217023 2.937831
H 5.337599 2.831232 3.142983
H 0.007487 3.185491 -0.406518
H -2.427297 3.683024 -0.008119
H -3.513408 -1.397804 -1.534656
H -5.288181 -1.409834 2.793807
H -6.087047 -0.951524 1.216867
H -4.841812 0.159440 1.968910
H -4.856314 1.035705 -0.528974


