%chk=000087190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087190

0 1
 S  -0.3389000      0.5249000       1.364300    
 S    2.012600       1.910700     -0.3919000    
 O  -5.4099999E-02   1.933100       1.126000    
 O  -0.4341000      2.7500000E-02   2.730800    
 O   0.8548000       2.279800      -1.191700    
 O    2.248400       2.559900      0.8885000    
 N    3.418000       2.056400      -1.350900    
 N    3.993100      -2.771100      -1.092600    
 N   -5.409500     -0.6700000      -1.501900    
 C   0.9623000     -0.4227000      0.6215000    
 C    1.969300      0.1800000     -0.1325000    
 C   -1.828100      0.1747000      0.5234000    
 C   0.9620000      -1.805400      0.8063000    
 C    2.976000     -0.5999000     -0.7015000    
 C    2.975700      -1.982600     -0.5168000    
 C    1.968600      -2.585200      0.2372000    
 C   -2.643900     -0.8709000      0.9559000    
 C   -2.201500      0.9395000     -0.5816000    
 C   -3.833200      -1.151400      0.2833000    
 C   -3.390700      0.6590000      -1.254200    
 C   -4.206700     -0.3864000     -0.8217000    
 H   0.1869000      -2.294700       1.389400    
 H    3.782800     -0.1869000      -1.296400    
 H    1.957300      -3.661700      0.3881000    
 H   -2.370800      -1.482100       1.811300    
 H   -1.595600       1.764500     -0.9372000    
 H   -4.460000      -1.969400      0.6292000    
 H   -3.672100       1.263500      -2.112800    
 H    4.246900       2.484400     -0.9205000    
 H    3.296000       2.294800      -2.342800    
 H    4.724300      -2.335800      -1.639000    
 H    3.993300      -3.773500     -0.9583000    
 H   -5.680400     -0.1162000      -2.303500    
 H   -6.001100      -1.428300      -1.189100    


%chk=000087190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087190

0 1
S -0.421686 0.213805 1.599375
S 1.916010 1.904065 -0.536713
O 0.004064 1.786520 1.727877
O -0.699316 -0.739415 2.906908
O 0.495640 2.235020 -1.260627
O 2.616255 2.848228 0.575001
N 3.166032 1.919039 -1.935273
N 4.354023 -2.746603 -0.845171
N -5.501597 -0.250066 -1.684853
C 1.044106 -0.626834 0.717809
C 1.994431 0.015900 -0.090211
C -1.951363 0.045647 0.520857
C 1.216505 -1.992440 1.019951
C 3.097726 -0.668448 -0.614865
C 3.267224 -2.056520 -0.327107
C 2.308492 -2.707438 0.504216
C -2.865372 -0.971342 0.852837
C -2.182453 0.982541 -0.502826
C -4.053650 -1.072385 0.108806
C -3.373671 0.873991 -1.241220
C -4.324347 -0.152459 -0.950731
H 0.499179 -2.464762 1.701089
H 3.797504 -0.120513 -1.255739
H 2.430459 -3.767491 0.753219
H -2.656162 -1.641897 1.692783
H -1.443650 1.762592 -0.719322
H -4.782674 -1.854393 0.351263
H -3.576265 1.589670 -2.046619
H 3.764232 2.742051 -1.743033
H 2.625977 2.026281 -2.811774
H 5.048283 -2.273836 -1.416951
H 4.495921 -3.730166 -0.633277
H -5.709326 0.413433 -2.425638
H -6.192932 -0.963277 -1.471742


