%chk=000053833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053833

0 1
 S    2.836200      0.6938000     -0.6508000    
 O  -0.8326000       1.751700       1.807400    
 C   0.1921000       1.641700     -0.3974000    
 C   -1.144100       1.614600      0.4152000    
 C    1.181900      0.5591000      0.1016000    
 C  -3.1900000E-02   1.534000      -1.915200    
 C   -2.070300       2.784800      5.9500001E-02
 C   -1.873100      0.3434000      0.2371000    
 C    3.638200     -0.6488000      0.2533000    
 C    5.094300     -0.7875000     -0.1771000    
 C    5.784300      -1.913000      0.5796000    
 C   -2.464300     -0.6922000      9.1899998E-02
 C   -3.168300      -1.920500     -8.3099999E-02
 C   -4.667700      -1.910200     -3.7999999E-02
 C   -2.474800      -3.051000     -0.2839000    
 H   0.6624000       2.616600     -0.2018000    
 H   0.7928000     -0.4408000     -0.1182000    
 H    1.312000      0.6423000       1.185200    
 H  -0.7318000       2.294900      -2.272000    
 H   0.8956000       1.691500      -2.474000    
 H  -0.4259000      0.5515000      -2.195100    
 H   -2.917200       2.835200      0.7554000    
 H   -2.481500       2.704600     -0.9517000    
 H   -1.542400       3.741200      0.1474000    
 H    3.100100      -1.582300      5.7700001E-02
 H    3.585200     -0.4384000       1.326700    
 H  -0.3599000       2.593300       1.926800    
 H    5.157100     -0.9963000      -1.252100    
 H    5.638800      0.1462000      8.8000000E-03
 H    5.290500      -2.871900      0.3928000    
 H    6.827500      -2.000400      0.2600000    
 H    5.774100      -1.724900       1.657900    
 H   -5.018000      -1.539600      0.9314000    
 H   -5.092300      -2.909000     -0.1854000    
 H   -5.068800      -1.259200     -0.8223000    
 H   -2.977600      -4.002900     -0.4211000    
 H   -1.389300      -3.058000     -0.3169000    


%chk=000053833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053833

0 1
S 2.885867 0.848128 -0.358999
O -1.009274 1.928938 1.608411
C 0.191327 1.664083 -0.567903
C -1.215487 1.719385 0.140994
C 1.057017 0.545821 0.052074
C 0.084990 1.514705 -2.102858
C -2.088945 2.878975 -0.404882
C -1.931926 0.433990 0.020285
C 3.607315 -0.724302 0.417973
C 5.138923 -0.727112 0.272430
C 5.770837 -1.994944 0.891508
C -2.538658 -0.633175 -0.130403
C -3.254992 -1.879309 -0.216677
C -3.763183 -2.447670 1.102866
C -3.462730 -2.508462 -1.412391
H 0.675009 2.640894 -0.340677
H 0.770909 -0.440414 -0.354306
H 0.947925 0.538534 1.149030
H -0.373570 2.400302 -2.576108
H 1.092382 1.380153 -2.534578
H -0.521008 0.627180 -2.363516
H -2.992141 2.976371 0.220221
H -2.403694 2.698376 -1.445769
H -1.525272 3.831608 -0.371490
H 3.158201 -1.594486 -0.094672
H 3.311280 -0.744202 1.482659
H -0.569612 2.813238 1.719532
H 5.406135 -0.661409 -0.800125
H 5.554557 0.175323 0.760914
H 5.391801 -2.910761 0.400484
H 6.870251 -1.981563 0.779914
H 5.540907 -2.069377 1.970881
H -2.924872 -2.622409 1.802191
H -4.295060 -3.400961 0.943588
H -4.451059 -1.736405 1.596132
H -4.010952 -3.455589 -1.463278
H -3.091899 -2.089953 -2.353856


