%chk=000126116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126116

0 1
 S    4.510700      0.2435000     -0.5087000    
 O    5.916900      0.6024000      0.2335000    
 O    4.721000     -0.8950000      -1.379200    
 O    3.907500       1.471900     -0.9830000    
 O    1.122200       1.069100      0.8075000    
 N    2.341800     -0.8873000      0.6414000    
 N   7.7299997E-02 -0.9664000      0.2825000    
 N   -6.433800      0.7851000     -0.3894000    
 C    3.633800     -0.3065000      0.9427000    
 C   -1.281500     -0.6001000      0.1420000    
 C    1.160100     -0.1407000      0.5962000    
 C   -2.216700      -1.572400     -0.1740000    
 C   -1.650300      0.7231000      0.3235000    
 C   -3.557000      -1.211700     -0.3126000    
 C   -2.990700       1.083700      0.1850000    
 C   -3.944000      0.1162000     -0.1330000    
 C   -5.317300      0.4851000     -0.2745000    
 H    4.237000      -1.080800       1.424500    
 H    3.516700      0.5495000       1.612900    
 H    2.302000      -1.878500      0.4257000    
 H   0.2830000      -1.951800      0.1373000    
 H   -1.925900      -2.609500     -0.3158000    
 H  -0.9738000       1.527900      0.5701000    
 H   -4.288400      -1.977200     -0.5607000    
 H   -3.278500       2.122800      0.3278000    
 H    5.898900       1.398900      0.8146000    


%chk=000126116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126116

0 1
S 3.385607 -1.021492 -2.329829
O 4.262267 -0.718498 -0.206409
O 1.904835 -0.461776 -1.921607
O 3.432181 -2.635193 -2.383607
O 0.669421 0.877822 2.659947
N 2.699337 0.481174 1.441870
N 0.618001 0.087957 0.429144
N -6.084799 -0.590320 -1.004377
C 3.386598 1.074798 2.377703
C -0.778803 -0.025022 0.196489
C 1.220829 0.508794 1.586373
C -1.175455 -0.445946 -1.105240
C -1.762840 0.253481 1.185823
C -2.535771 -0.591703 -1.413235
C -3.123932 0.104549 0.867185
C -3.528104 -0.318239 -0.429128
C -4.923545 -0.466914 -0.743195
H 4.481046 1.064948 2.314320
H 2.887907 1.575270 3.221581
H 3.536916 -0.239318 0.443934
H 1.221657 -0.137287 -0.399366
H -0.407979 -0.653552 -1.858221
H -1.455182 0.580864 2.180164
H -2.839605 -0.916320 -2.412925
H -3.884430 0.316536 1.625127
H 4.564844 -1.603313 0.113781


