%chk=000044093.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044093

0 1
 S   -3.512500      0.2892000       1.796700    
 O  -0.9991000       1.560200      0.2378000    
 O    2.832400       1.948600      0.3425000    
 O    2.085800      0.7789000      -1.465900    
 N   0.2193000     -0.4047000      0.1328000    
 C    1.426300      0.1139000      0.7629000    
 C    2.234900      -1.125200       1.129400    
 C    1.815700      -2.147000      7.5400002E-02
 C   0.3450000      -1.831900     -0.1516000    
 C  -0.9306000      0.3558000     -1.2400000E-02
 C   -2.140100     -0.3862000     -0.5226000    
 C    2.130600      0.9563000     -0.2577000    
 C   -3.427800      0.2636000     -2.1800000E-02
 C   -2.079800     -0.3717000      -2.045500    
 H    1.154500      0.7257000       1.629700    
 H    1.933800      -1.484300       2.121100    
 H    3.316300     -0.9591000       1.137600    
 H    2.383200      -1.984300     -0.8486000    
 H    1.979900      -3.179800      0.3954000    
 H   2.3300000E-02  -2.078900      -1.164400    
 H  -0.2771000      -2.376400      0.5673000    
 H   -2.135600      -1.425700     -0.1801000    
 H   -3.519900       1.296300     -0.3759000    
 H   -4.298600     -0.2878000     -0.3923000    
 H   -1.144200     -0.7792000      -2.437400    
 H   -2.902800     -0.9580000      -2.467900    
 H   -2.166400      0.6504000      -2.433000    
 H    3.302400       2.511000     -0.3095000    
 H   -3.466900      -1.039600       1.972100    


%chk=000044093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044093

0 1
S -3.256160 -0.632918 1.893806
O -0.819391 1.614424 -0.128282
O 3.098645 1.826938 0.043580
O 2.223085 0.532119 -1.676955
N 0.209111 -0.435642 0.138116
C 1.424036 0.214957 0.664721
C 2.197421 -0.959076 1.332849
C 1.807525 -2.178563 0.459516
C 0.320620 -1.919822 0.109559
C -0.870954 0.343920 -0.220460
C -2.139943 -0.345694 -0.752066
C 2.241267 0.846844 -0.469261
C -3.338932 0.068639 0.127163
C -2.369402 0.104489 -2.220849
H 1.162420 1.017327 1.372993
H 1.826629 -1.083172 2.365954
H 3.283525 -0.778047 1.375518
H 2.412703 -2.193854 -0.463841
H 1.946913 -3.139425 0.981973
H 0.060865 -2.321886 -0.885296
H -0.357542 -2.366574 0.862799
H -2.036001 -1.445495 -0.723927
H -3.342796 1.162418 0.263465
H -4.294076 -0.248369 -0.322491
H -1.518461 -0.189606 -2.861016
H -3.288539 -0.351884 -2.631763
H -2.462743 1.203278 -2.267304
H 3.628531 2.224262 -0.699560
H -3.566357 -1.939487 1.545155


