%chk=000126104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126104

0 1
 S    1.189500      0.4814000     -4.2700000E-02
 O   -1.618500       2.314300      -1.753300    
 O  -0.7512000       3.697100     -0.1798000    
 O   -3.268300     -0.3079000       1.757400    
 O   -5.496800      -2.658600      -1.074900    
 O   -5.766300     -0.7383000      0.1115000    
 N   -2.080700      0.3388000     -0.1299000    
 C   -1.398400       1.455300      0.4796000    
 C  -8.4299996E-02   1.032000       1.140500    
 C    2.512300      0.1520000       1.142400    
 C    3.765200     -0.3401000      0.4719000    
 C   -1.211000       2.606200     -0.4950000    
 C   -2.969900     -0.4569000      0.5751000    
 C   -3.534900      -1.570500     -0.2779000    
 C    4.722000      0.5748000      5.1899999E-02
 C    3.950300      -1.703200      0.2813000    
 C    5.884300      0.1186000     -0.5698000    
 C    5.112600      -2.159300     -0.3403000    
 C    6.079600      -1.248500     -0.7658000    
 C   -5.035700      -1.587200     -0.3822000    
 H   -2.064100       1.843700       1.261600    
 H   0.3277000       1.880500       1.698200    
 H  -0.2683000      0.2183000       1.850600    
 H   -1.874100      0.1299000      -1.102200    
 H    2.168800     -0.5908000       1.871900    
 H    2.731300       1.067000       1.705300    
 H   -3.209700      -2.513600      0.1761000    
 H   -3.133800      -1.525300      -1.296000    
 H    4.580000       1.641900      0.1986000    
 H    3.203600      -2.421600      0.6077000    
 H    6.637100      0.8277000     -0.9014000    
 H    5.264800      -3.223800     -0.4934000    
 H    6.984600      -1.603800      -1.250000    
 H   -1.495000       3.072000      -2.364000    
 H   -6.476100      -2.663900      -1.131900    


%chk=000126104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126104

0 1
S 0.912223 -0.710076 0.835519
O -1.360293 2.398968 -0.789875
O 0.304919 2.777348 0.778297
O -3.820822 -0.038301 2.040206
O -4.840486 -2.106572 -2.174667
O -2.772941 -1.080805 -2.031767
N -2.204395 0.145680 0.377278
C -1.353141 1.000881 1.206103
C -0.287819 0.199470 1.989166
C 2.509351 0.312542 1.184631
C 3.612470 -0.140138 0.261319
C -0.697024 2.126757 0.405393
C -3.402695 -0.311560 0.870143
C -4.262962 -1.205365 -0.037783
C 3.827041 0.510383 -0.981715
C 4.450366 -1.229619 0.615713
C 4.859325 0.086615 -1.847824
C 5.482022 -1.656936 -0.249212
C 5.689935 -0.999186 -1.484071
C -3.845139 -1.424303 -1.478075
H -2.024731 1.474435 1.956506
H 0.304060 0.873324 2.629584
H -0.792102 -0.552636 2.615589
H -1.927842 -0.096938 -0.585168
H 2.763316 0.136450 2.242930
H 2.237143 1.368933 1.033985
H -5.291808 -0.803410 -0.022463
H -4.342343 -2.195961 0.451446
H 3.182652 1.351546 -1.264253
H 4.289920 -1.742681 1.571704
H 5.017211 0.601243 -2.802391
H 6.122863 -2.498033 0.038454
H 6.491350 -1.328160 -2.155188
H -0.905255 3.153713 -1.253635
H -4.547771 -2.259408 -3.114776


