%chk=000050948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050948

0 1
 S    3.315600       1.529200      0.3504000    
 O   -2.062000     -0.5788000     -0.8581000    
 O    3.154500       2.914200      0.7653000    
 O    4.016000      0.5890000       1.211700    
 O    3.198700      -1.890900     -0.6717000    
 O    2.760600      -1.804100       1.586500    
 N    4.030300       1.494400      -1.200200    
 C   -4.376400     -0.5727000     -0.2432000    
 C   -5.592000      0.2881000      9.3199998E-02
 C   -3.157700      0.2788000     -0.5697000    
 C   -6.799300     -0.5741000      0.4608000    
 C  -0.8096000     -9.8600000E-02 -0.5755000    
 C    1.730100      0.8762000     -3.5000001E-03
 C    1.477900     -0.4940000      6.2199999E-02
 C   -8.002200      0.2798000      0.8293000    
 C   0.2036000     -0.9832000     -0.2249000    
 C  -0.5665000       1.268200     -0.6432000    
 C   0.7079000       1.757300     -0.3562000    
 C    2.519800      -1.444500      0.4280000    
 C    4.250600      -2.834300     -0.4410000    
 H   -4.138200      -1.237500      0.5966000    
 H   -4.599700      -1.230700      -1.092200    
 H   -5.350200      0.9534000      0.9311000    
 H   -5.840900      0.9256000     -0.7638000    
 H   -3.362400      0.9072000      -1.444300    
 H   -2.953900      0.9181000      0.2994000    
 H   -6.549400      -1.224600       1.307100    
 H   -7.062500      -1.224300     -0.3816000    
 H   -7.781500      0.9174000       1.691300    
 H   -8.298300      0.9217000     -6.5000001E-03
 H   -8.854200     -0.3569000       1.087000    
 H  -1.7000000E-03  -2.049800     -0.1758000    
 H   -1.325700       1.984000     -0.9429000    
 H   0.8820000       2.827200     -0.4283000    
 H    4.769200      0.8011000      -1.369400    
 H    4.185700       2.392200      -1.674600    
 H    3.849700      -3.740700      2.1900000E-02
 H    5.024900      -2.387700      0.1898000    
 H    4.690700      -3.096300      -1.406800    


%chk=000050948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050948

0 1
S 3.558928 1.452005 -0.042380
O -2.143897 -0.655896 0.084099
O 3.378523 3.063958 0.089479
O 4.477485 0.678685 1.059943
O 3.695357 -1.473234 -0.695728
O 2.423904 -2.841240 0.705004
N 4.094629 1.204067 -1.766570
C -4.562584 -0.551847 0.167036
C -5.833494 0.329553 0.162951
C -3.288527 0.285818 0.058238
C -7.133051 -0.501442 0.268324
C -0.857875 -0.130949 0.012228
C 1.814961 0.703168 -0.105104
C 1.539559 -0.683969 0.000105
C -8.403895 0.374687 0.268777
C 0.188612 -1.084405 0.072662
C -0.554566 1.250324 -0.106933
C 0.793375 1.660918 -0.155015
C 2.566555 -1.772258 0.074080
C 4.896381 -2.321162 -0.472810
H -4.520439 -1.150009 1.097120
H -4.595821 -1.267793 -0.676173
H -5.793758 1.048318 1.007993
H -5.865992 0.937904 -0.765123
H -3.266615 0.861513 -0.890200
H -3.198894 0.991263 0.910023
H -7.100635 -1.110959 1.193958
H -7.175654 -1.218994 -0.575881
H -8.398515 1.081854 1.119570
H -8.477465 0.969056 -0.661448
H -9.317879 -0.241507 0.348406
H -0.054101 -2.145215 0.181114
H -1.344137 2.004555 -0.150411
H 1.063292 2.721153 -0.208953
H 4.283712 0.199737 -1.912196
H 4.876633 1.843872 -1.976010
H 4.592078 -3.308686 -0.092634
H 5.530274 -1.794322 0.259008
H 5.397035 -2.409120 -1.448352


