%chk=000025141.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025141

0 1
 S    1.118200     -0.6153000     -0.4752000    
 O    1.274700      -2.059500     -0.3743000    
 O    1.553700      7.6899998E-02  -1.680300    
 N    1.864400      0.1158000      0.8768000    
 C    2.275100       1.508500      0.6627000    
 C    3.291700      0.4080000      0.6980000    
 C  -0.5576000     -0.2210000     -0.1841000    
 C   -1.094900      0.9608000     -0.6946000    
 C   -1.359100      -1.087600      0.5591000    
 C   -2.433500       1.276000     -0.4616000    
 C   -2.697800     -0.7723000      0.7920000    
 C   -3.234900      0.4095000      0.2816000    
 H    2.140800       2.111200       1.549300    
 H    2.014800       1.965700     -0.2778000    
 H    3.730300      5.4600000E-02 -0.2221000    
 H    3.854600      0.2550000       1.606700    
 H  -0.4888000       1.653000      -1.272000    
 H  -0.9601000      -2.010000      0.9717000    
 H   -2.851600       2.196800     -0.8577000    
 H   -3.321700      -1.446000       1.372000    
 H   -4.277100      0.6554000      0.4636000    


%chk=000025141-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025141

0 1
S 1.034731 -0.175452 -0.674028
O 1.474713 -1.745461 -0.570709
O 1.333451 0.684417 -2.030216
N 1.833873 0.793860 0.854865
C 3.140140 1.460562 0.400154
C 3.197831 0.172311 1.187573
C -0.789552 -0.024260 -0.244149
C -1.487047 1.093533 -0.728151
C -1.370597 -1.051212 0.515906
C -2.862873 1.187070 -0.414561
C -2.747638 -0.937462 0.817443
C -3.486509 0.178501 0.357890
H 3.316843 2.423471 0.888819
H 3.363506 1.431978 -0.673753
H 3.461377 -0.754430 0.662136
H 3.417400 0.180985 2.259452
H -0.979267 1.845893 -1.339820
H -0.774809 -1.910847 0.838730
H -3.442782 2.042810 -0.775152
H -3.238830 -1.719175 1.405884
H -4.552761 0.258410 0.595489