%chk=000077403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077403

0 1
 S    2.142400      6.0800001E-02  -1.163800    
 O   -3.506600      0.2942000      0.6524000    
 N    3.332000      0.6444000       1.362100    
 C  -0.1983000      -1.052000     -0.1404000    
 C   0.4428000      9.4499998E-02 -0.6093000    
 C   -1.525600     -0.9852000      0.2832000    
 C   -2.211800      0.2284000      0.2379000    
 C  -0.2435000       1.308000     -0.6547000    
 C   0.4944000      -2.375500     -7.2700001E-02
 C   -1.570800       1.375000     -0.2309000    
 C    2.845000      0.4073000      0.3362000    
 H   -2.030800      -1.875400      0.6505000    
 H   0.2363000       2.214100      -1.017000    
 H   0.8509000      -2.679200      -1.062500    
 H    1.335900      -2.337700      0.6266000    
 H  -0.1763000      -3.168200      0.2776000    
 H   -2.100200       2.323200     -0.2684000    
 H   -3.790100     -0.5892000      0.9443000    


%chk=000077403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077403

0 1
S 2.130776 0.268761 -1.216752
O -3.657077 0.285648 0.577429
N 3.693730 -0.068692 1.263810
C -0.184683 -0.999411 -0.094968
C 0.378203 0.211098 -0.581182
C -1.544813 -0.967193 0.300351
C -2.309300 0.220849 0.200870
C -0.377988 1.400672 -0.677748
C 0.617680 -2.279048 0.024344
C -1.731435 1.412643 -0.292559
C 3.031373 0.074719 0.274395
H -2.004849 -1.886269 0.686897
H 0.092690 2.316271 -1.048114
H 1.142914 -2.512034 -0.919479
H 1.394472 -2.191951 0.807350
H -0.030102 -3.132732 0.283426
H -2.338298 2.319268 -0.358059
H -3.977593 -0.585098 0.921088


