%chk=000052267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052267

0 1
 S    2.028400      0.6308000     -0.7520000    
 O    1.999200     -0.1816000      -1.961500    
 O    2.631400       1.956200     -0.7977000    
 O   -4.092400     -0.7145000      0.2280000    
 O   -2.691800      -2.010900      -1.006700    
 N    2.780900     -0.2681000      0.4917000    
 C   0.3974000      0.8079000     -0.1544000    
 C    2.268600      -1.599700      0.8453000    
 C  -0.5685000     -0.1485000     -0.4680000    
 C   6.0300000E-02   1.906000      0.6370000    
 C   -1.871300     -6.6000000E-03  9.8999999E-03
 C   -1.242400       2.047900       1.114800    
 C   -2.208200       1.091600      0.8013000    
 C    3.386800      -2.507400       1.329200    
 C   -2.878700      -1.003100     -0.3169000    
 H    3.253800      0.2465000       1.245100    
 H    1.519600      -1.491100       1.636400    
 H    1.791500      -2.070300     -1.9900000E-02
 H  -0.3081000      -1.006400      -1.082500    
 H   0.7975000       2.659300      0.9001000    
 H   -1.503900       2.902200       1.732500    
 H   -3.209700       1.241100       1.194600    
 H    4.147500      -2.636600      0.5523000    
 H    3.878900      -2.084500       2.211200    
 H    2.992800      -3.493200       1.594200    
 H   -4.764300      -1.392600      2.3000001E-03


%chk=000052267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052267

0 1
S 2.038615 0.594793 -0.724098
O 1.938107 -0.337118 -2.048189
O 2.744272 2.057680 -0.678206
O -4.324803 -0.616674 0.215644
O -2.835553 -2.023665 -0.882161
N 2.956116 -0.402721 0.499016
C 0.251571 0.843130 -0.097199
C 2.525769 -1.806454 0.693002
C -0.707141 -0.128055 -0.407919
C -0.029648 2.015192 0.627337
C -2.030424 0.080343 0.061144
C -1.355274 2.209493 1.080462
C -2.349869 1.245911 0.804396
C 3.648585 -2.566238 1.425053
C -3.051428 -0.957089 -0.261490
H 3.111896 0.167330 1.345514
H 1.570955 -1.894117 1.257844
H 2.373297 -2.238083 -0.311871
H -0.468178 -1.008046 -1.014992
H 0.757528 2.757600 0.798149
H -1.609930 3.114908 1.640139
H -3.377682 1.388680 1.148625
H 4.584529 -2.514123 0.844962
H 3.836994 -2.145068 2.429965
H 3.363123 -3.626487 1.549575
H -4.966127 -1.336722 -0.028401


