%chk=000002666.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002666

0 1
 S   -1.654400       1.523300       1.904600    
 O   -2.252700      -2.577300     -0.2076000    
 O    2.081300     -0.7991000       1.822000    
 O   -4.584800     -0.3578000      -2.154400    
 O   -5.425200      -1.225100     -0.2122000    
 N   -2.428700     -0.2433000      7.9800002E-02
 N   0.6356000      -1.128900      3.9400000E-02
 N    3.709100      -2.575600      0.1032000    
 C   -1.244800      0.4988000      0.4732000    
 C  -0.6018000     -0.8731000      0.7726000    
 C   -1.870600      -1.473200      0.1022000    
 C   -3.630700      0.3335000     -0.1783000    
 C   -2.929600       2.467500       1.002800    
 C   -3.896500       1.609200      0.1901000    
 C    1.897100      -1.069500      0.6363000    
 C   -5.174200       2.346300     -0.1319000    
 C   -4.651900     -0.5099000     -0.8170000    
 C    3.032300      -1.353900     -0.3410000    
 C    3.975500     -0.1722000     -0.4317000    
 C    3.734000      0.8126000      -1.373000    
 C    5.056400     -0.1044000      0.4291000    
 C    4.602300       1.901000      -1.456500    
 C    5.924700      0.9842000      0.3456000    
 C    5.697500       1.986900     -0.5972000    
 H  -0.7947000       1.044500     -0.3656000    
 H  -0.5326000      -1.159900       1.829200    
 H   0.5876000      -1.353700     -0.9515000    
 H   -2.438000       3.188500      0.3405000    
 H   -3.483400       3.032800       1.759900    
 H   -5.861400       1.765200     -0.7528000    
 H   -4.947600       3.269900     -0.6749000    
 H   -5.703600       2.606200      0.7907000    
 H    2.632100      -1.559200      -1.341400    
 H    4.430100      -2.829900     -0.5720000    
 H    3.045600      -3.350100      0.1047000    
 H   -5.252000     -0.9043000      -2.622000    
 H    2.882100      0.7553000      -2.044300    
 H    5.250300     -0.8587000       1.185500    
 H    4.424900       2.682300      -2.189800    
 H    6.775300       1.053700       1.017400    
 H    6.372800       2.835000     -0.6613000    


%chk=000002666-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002666

0 1
S -2.094167 0.152247 2.581332
O -1.736505 -1.778802 -1.632177
O 1.632599 -2.438086 1.885780
O -2.724565 0.829948 -2.712307
O -4.958794 1.045761 -2.113324
N -2.004533 0.190130 -0.196485
N 0.979459 -1.039990 0.145351
N 4.272882 -2.054217 1.355612
C -1.103142 0.278181 0.972410
C -0.420602 -1.056791 0.500051
C -1.458768 -1.037162 -0.677966
C -3.219934 0.892667 -0.380923
C -3.273092 1.553977 2.085006
C -3.832080 1.544486 0.669873
C 1.919881 -1.773338 0.846675
C -5.090866 2.375761 0.531212
C -3.757136 0.924274 -1.774211
C 3.358223 -1.793461 0.243704
C 3.707906 -0.510313 -0.520223
C 3.498827 -0.425629 -1.920517
C 4.221717 0.615251 0.171480
C 3.782754 0.771963 -2.618833
C 4.505360 1.810110 -0.524357
C 4.283060 1.894802 -1.920753
H -0.469893 1.178568 0.992187
H -0.590662 -1.890597 1.203826
H 1.294026 -0.486267 -0.656756
H -2.757669 2.515281 2.273860
H -4.105672 1.484942 2.807538
H -5.307183 2.657811 -0.508688
H -5.017541 3.287451 1.154728
H -5.965674 1.801900 0.895629
H 3.318951 -2.624940 -0.507298
H 5.204312 -2.371966 1.082495
H 3.836959 -2.596065 2.109746
H -3.118443 0.755878 -3.622820
H 3.131418 -1.302551 -2.470329
H 4.409481 0.515605 1.245840
H 3.623148 0.823619 -3.701640
H 4.904616 2.675318 0.017338
H 4.508741 2.821843 -2.459664


