%chk=000019050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019050

0 1
 S    3.849400       1.225800       1.154700    
 O   -3.510600      0.2822000      0.4385000    
 O   -2.323500       1.994100     -0.2537000    
 N   -2.423900      0.7840000      6.2300000E-02
 N    2.300800      0.2135000     -0.9127000    
 C   -1.271600     -4.3299999E-02 -7.4999998E-03
 C  -5.2600000E-02  0.4915000     -0.4245000    
 C    1.078400     -0.3219000     -0.4943000    
 C   -1.359400      -1.391500      0.3396000    
 C   0.9904000      -1.670100     -0.1471000    
 C  -0.2284000      -2.204900      0.2698000    
 C    2.951100      0.6407000     -2.5100000E-02
 H   4.0500000E-02   1.539000     -0.7032000    
 H   -2.292100      -1.842700      0.6685000    
 H    1.864500      -2.314200     -0.1997000    
 H  -0.2965000      -3.254800      0.5395000    


%chk=000019050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019050

0 1
S 4.872046 1.482097 -0.156758
O -3.731576 0.161150 -0.009625
O -2.426376 2.021850 -0.186677
N -2.586047 0.748368 -0.070586
N 2.302693 0.292346 -0.052548
C -1.363519 -0.105343 -0.000095
C -0.107618 0.525130 -0.063764
C 1.054716 -0.286875 0.004198
C -1.516590 -1.502186 0.127582
C 0.928478 -1.700756 0.133313
C -0.348938 -2.292523 0.193294
C 3.397997 0.800884 -0.100310
H -0.040602 1.611219 -0.162148
H -2.518234 -1.935865 0.172328
H 1.833679 -2.313148 0.184754
H -0.433609 -3.378949 0.292141


