%chk=000097242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097242

0 1
 S   0.4294000      0.6771000       1.458000    
 O   -1.549700       2.525300     -0.3867000    
 O   -3.679800      -1.447600      0.3016000    
 N   -2.676400      0.5431000     -0.1080000    
 N  -0.4837000     -0.8723000     -0.6955000    
 N   -1.534000      -1.503300     -0.4616000    
 C    2.861700      0.1756000      0.1774000    
 C    1.900700     -0.3655000       1.235600    
 C    4.129700     -0.6662000      9.8999999E-03
 C  -0.2757000      0.4985000     -0.2161000    
 C    5.091400     -2.6200000E-02 -0.9800000    
 C   -1.542800       1.301300     -0.2745000    
 C   -2.670900     -0.8398000     -5.9999999E-02
 H    2.374700      0.2216000     -0.8018000    
 H    3.149900       1.201400      0.4416000    
 H    1.592100      -1.388300      0.9957000    
 H    2.413700     -0.4098000       2.202500    
 H    4.632200     -0.7758000      0.9779000    
 H    3.864000      -1.672000     -0.3349000    
 H   0.3985000      0.9917000     -0.9237000    
 H    5.989300     -0.6427000      -1.087700    
 H    5.400700      0.9676000     -0.6410000    
 H    4.628600      7.5300001E-02  -1.966900    
 H   -3.562700       1.024000      1.3200000E-02


%chk=000097242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097242

0 1
S 0.384698 0.252078 1.424871
O -1.191880 2.262792 -0.984465
O -4.358100 -0.769716 0.615580
N -2.771733 0.783012 -0.114951
N -0.986029 -1.399044 -0.252836
N -2.227857 -1.645499 -0.004455
C 3.012024 0.225305 0.228973
C 2.026694 -0.633820 1.034009
C 4.323914 -0.542147 -0.074532
C -0.457994 0.025337 -0.271713
C 5.329188 0.313802 -0.874866
C -1.463290 1.137265 -0.503435
C -3.206663 -0.519396 0.216108
H 2.550539 0.544365 -0.727682
H 3.241551 1.152307 0.788481
H 1.759978 -1.572813 0.520179
H 2.423855 -0.889181 2.032619
H 4.788739 -0.866777 0.878227
H 4.088434 -1.466252 -0.640031
H 0.337813 0.072193 -1.028992
H 6.254713 -0.251171 -1.087345
H 5.610061 1.224978 -0.314678
H 4.898584 0.633198 -1.842237
H -3.486342 1.522185 -0.141831


