%chk=000145513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145513

0 1
 S   -3.271700       1.811600      0.4947000    
 O    2.094000      0.2872000      0.7849000    
 O    1.240800       1.322200      -1.089300    
 N   -1.217600      0.3494000     -0.6420000    
 C  -5.3800002E-02  -1.636200      0.2627000    
 C  -0.1751000     -0.1013000      0.2880000    
 C   0.3371000      -2.186700      -1.112900    
 C   -1.350900      -2.296600      0.7395000    
 C    1.112000      0.5922000     -0.1150000    
 C    3.367800      0.8900000      0.5361000    
 C   -2.082600      0.9683000     -0.1469000    
 H   0.7378000      -1.930600      0.9643000    
 H  -0.3861000      0.2215000       1.320000    
 H  -0.4144000      -1.947600      -1.872400    
 H    1.298600      -1.782900      -1.445200    
 H   0.4366000      -3.277100      -1.075400    
 H   -1.217300      -3.380000      0.8324000    
 H   -1.645200      -1.914100       1.722500    
 H   -2.177400      -2.124700      4.2300001E-02
 H    3.283600       1.980500      0.5681000    
 H    3.760200      0.5600000     -0.4305000    
 H    4.055600      0.5679000       1.322400    


%chk=000145513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145513

0 1
S -3.608322 1.628587 -1.117423
O 2.215758 0.267696 0.907178
O 1.253778 1.350518 -0.921642
N -1.277078 0.465672 0.003770
C -0.022070 -1.667752 0.279830
C -0.115500 -0.122433 0.569019
C 0.056741 -1.968665 -1.232613
C -1.205615 -2.404722 0.945952
C 1.156118 0.601996 0.068771
C 3.529850 0.852398 0.556114
C -2.261677 0.964287 -0.475321
H 0.918811 -1.991724 0.766018
H -0.140322 0.001365 1.671172
H -0.864659 -1.644932 -1.749492
H 0.910191 -1.459773 -1.715909
H 0.172559 -3.055178 -1.395047
H -1.107074 -3.494666 0.795251
H -1.244675 -2.215202 2.034923
H -2.169490 -2.089522 0.507011
H 3.475028 1.953555 0.581171
H 3.837827 0.527075 -0.451809
H 4.221823 0.474420 1.321375


