%chk=000080941.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080941

0 1
 S   -1.313100      -1.770500     -0.1489000    
 O    4.154300     -2.5000000E-02  0.7668000    
 N   -2.695000      0.3321000      0.4446000    
 C   0.7936000     -0.1407000     -0.9116000    
 C    1.827100     -0.1443000      0.2149000    
 C  -0.6116000     -0.2390000     -0.3738000    
 C    3.243700      6.9999998E-04 -0.3234000    
 C   -1.464200      0.7574000     -1.5699999E-02
 C   -1.206800       2.211000     -7.0699997E-02
 C   -2.727900     -0.9818000      0.4178000    
 H   0.8906000      0.7811000      -1.498800    
 H   0.9939000     -0.9670000      -1.605600    
 H    1.755000      -1.068900      0.8021000    
 H    1.622800      0.6679000      0.9248000    
 H    3.494600     -0.8255000     -0.9956000    
 H    3.373800      0.9421000     -0.8664000    
 H  -0.3155000       2.470200      0.5094000    
 H   -1.054900       2.536300      -1.104800    
 H   -2.049100       2.777500      0.3393000    
 H   -3.596800      -1.541900      0.7351000    
 H    3.943900      0.7293000       1.343200    


%chk=000080941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080941

0 1
S -1.182491 -1.805704 0.051200
O 4.371076 -0.321148 0.782954
N -2.794581 0.290721 0.335381
C 0.855908 0.038071 -0.815545
C 1.917870 -0.237911 0.286618
C -0.564229 -0.141991 -0.347452
C 3.350954 -0.016117 -0.231285
C -1.562788 0.805254 -0.129821
C -1.462485 2.295715 -0.335630
C -2.770056 -1.017440 0.480095
H 0.974762 1.074491 -1.185763
H 1.060080 -0.623875 -1.680850
H 1.824432 -1.278509 0.649913
H 1.721056 0.425057 1.153649
H 3.576752 -0.711092 -1.058382
H 3.466669 1.023525 -0.610814
H -0.468075 2.599523 -0.700430
H -2.220278 2.633465 -1.065092
H -1.663436 2.827166 0.612014
H -3.604126 -1.627392 0.825703
H 4.231386 0.269191 1.566240