%chk=000087302.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087302

0 1
 S    2.741800     -0.8381000      0.3672000    
 O   -1.169000       1.617900      0.3642000    
 N   -3.461400     -0.8263000      5.9000000E-02
 C   2.6100000E-02 -0.4544000      0.1029000    
 C    1.369200      0.2044000     -0.2078000    
 C   -1.168200      0.3897000     -0.3605000    
 C   -2.449200     -0.2895000     -0.1250000    
 C    4.110800      0.1964000     -0.2000000    
 H  -4.9100000E-02 -0.6238000       1.186100    
 H  -2.2500001E-02  -1.439300     -0.3807000    
 H    1.440700       1.177700      0.2880000    
 H    1.467200      0.3570000      -1.287700    
 H   -1.068200      0.6324000      -1.423700    
 H    5.057400     -0.2808000      6.6799998E-02
 H    4.070500       1.178400      0.2784000    
 H    4.075700      0.3138000      -1.286300    
 H   -1.193600       1.410700       1.314300    


%chk=000087302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087302

0 1
S 2.769132 -0.880878 0.354157
O -1.181787 1.697057 0.399604
N -3.508834 -0.877476 0.100694
C 0.013649 -0.492850 0.076416
C 1.343847 0.181821 -0.295839
C -1.192615 0.405204 -0.306734
C -2.478123 -0.308238 -0.092416
C 4.200880 0.221909 -0.172385
H -0.019647 -0.701980 1.163876
H -0.078687 -1.464850 -0.444043
H 1.414589 1.184566 0.158710
H 1.448363 0.272855 -1.392134
H -1.124827 0.692225 -1.371372
H 5.122401 -0.281768 0.157943
H 4.124582 1.207515 0.314125
H 4.216560 0.335014 -1.268194
H -1.291284 1.536073 1.372790


