%chk=000117078.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117078

0 1
 S    2.002100      0.7348000      -1.109100    
 O   3.2299999E-02  -2.891800      0.3324000    
 O    1.765300      -1.776600     -0.4243000    
 N   0.5632000      -1.833000     -7.5700000E-02
 N    3.060000       1.420800       1.449100    
 C   -2.376800      0.4004000      0.1926000    
 C  -0.2282000     -0.6511000     -0.1464000    
 C   -1.564500     -0.7323000      0.2452000    
 C   0.2959000      0.5628000     -0.5906000    
 C   -1.852600       1.614400     -0.2515000    
 C  -0.5163000       1.695600     -0.6430000    
 C   -3.805600      0.3143000      0.6110000    
 C    2.625100       1.141500      0.4104000    
 H   -2.004400      -1.663700      0.5945000    
 H   -2.475100       2.504000     -0.2992000    
 H  -0.1298000       2.652200     -0.9869000    
 H   -3.918400     -0.3397000       1.482400    
 H   -4.200000       1.296100      0.8941000    
 H   -4.414000     -8.0300003E-02 -0.2088000    


%chk=000117078-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117078

0 1
S 2.023831 0.937905 -1.170703
O -0.048726 -2.950869 -0.156622
O 1.840685 -1.713566 0.163574
N 0.574192 -1.825777 -0.035129
N 3.608693 1.122420 1.306461
C -2.468216 0.412207 0.193949
C -0.241280 -0.582806 -0.118477
C -1.602222 -0.706237 0.231126
C 0.296590 0.665282 -0.527645
C -1.931142 1.654404 -0.226926
C -0.570925 1.776199 -0.588080
C -3.921722 0.274527 0.600809
C 2.929634 1.020295 0.325036
H -1.968485 -1.694188 0.527250
H -2.577544 2.537448 -0.273410
H -0.173537 2.740728 -0.917580
H -4.012136 0.108626 1.690773
H -4.500611 1.179046 0.350838
H -4.398878 -0.587244 0.100958


