%chk=000097524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097524

0 1
 S   -3.726700      -1.548600       2.005300    
 O   0.4810000     -0.1564000     -0.3579000    
 O   -3.198600       1.983600      0.8156000    
 O   -5.141200       1.237100     -8.4100001E-02
 O  -0.9116000      -1.028800      -1.962500    
 N   -1.740500      2.3700001E-02 -6.7900002E-02
 C   -3.147600     -0.1179000     -0.3477000    
 C   -3.707300      -1.439300      0.1850000    
 C    2.868900     -0.1957000     -0.3902000    
 C    1.616100     -0.5859000      -1.118000    
 C   -3.945200       1.083400      0.1325000    
 C  -0.7410000     -0.4433000     -0.8982000    
 C    3.452900       1.041400     -0.6394000    
 C    3.434300      -1.074400      0.5272000    
 C    4.617400       1.404300      3.7300002E-02
 C    4.598800     -0.7113000       1.204000    
 C    5.190300      0.5280000      0.9589000    
 H   -3.249900     -0.1203000      -1.440700    
 H   -3.119800      -2.282700     -0.1932000    
 H   -4.739000      -1.574500     -0.1572000    
 H   -1.463200      0.4805000      0.7959000    
 H    1.594000     -0.1203000      -2.111300    
 H    1.579900      -1.674000      -1.254200    
 H    3.013900       1.732600      -1.353500    
 H    2.980700      -2.041200      0.7274000    
 H    5.077800       2.369400     -0.1528000    
 H    5.044700      -1.393200       1.922100    
 H    6.096800      0.8107000       1.486100    
 H   -4.620000     -0.5707000       2.214800    
 H   -3.730800       2.753100       1.110500    


%chk=000097524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097524

0 1
S -3.468074 -1.722417 2.026318
O 0.473037 0.186650 -0.457725
O -3.455903 2.042230 0.829786
O -5.365251 0.851208 0.255446
O -0.975467 -1.066748 -1.846370
N -1.767777 0.247910 -0.077386
C -3.166435 -0.080191 -0.334020
C -3.569878 -1.500996 0.149488
C 2.891816 -0.073046 -0.466945
C 1.633623 -0.309172 -1.266777
C -4.120602 0.955170 0.257869
C -0.781653 -0.280210 -0.877538
C 3.841513 0.888418 -0.890581
C 3.149284 -0.824475 0.708728
C 5.032504 1.095431 -0.157570
C 4.334135 -0.615618 1.446350
C 5.280951 0.343589 1.013100
H -3.325745 -0.080450 -1.433899
H -2.865667 -2.229669 -0.279436
H -4.592729 -1.739245 -0.179393
H -1.524307 0.887188 0.679591
H 1.644687 0.243004 -2.223510
H 1.458478 -1.378316 -1.484402
H 3.647781 1.478665 -1.794569
H 2.415072 -1.565273 1.046844
H 5.760707 1.840646 -0.496437
H 4.523065 -1.200186 2.353623
H 6.202833 0.502548 1.583766
H -4.726350 -1.208209 2.300425
H -4.118548 2.680864 1.209021


