%chk=000096282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096282

0 1
 S   -2.421300      0.2044000     -2.3900000E-02
 S    3.736400     -0.6116000     -0.2095000    
 O   -2.732000       1.482800     -0.6468000    
 O   -3.061300      -1.011100     -0.5055000    
 N    1.531400      0.8943000     -0.2036000    
 N    1.219200      -1.491600     -7.2300002E-02
 N   -2.681300      0.3323000       1.659600    
 N  -0.3313000       2.350600     -0.2082000    
 N  -0.9549000      -2.412800      5.3599998E-02
 C  -0.6892000     -2.4900001E-02 -7.5000003E-02
 C   0.1902000       1.034800     -0.1610000    
 C  -0.1123000      -1.277900     -3.3700000E-02
 C    1.971300     -0.3776000     -0.1559000    
 C    4.335200      0.9083000      0.5824000    
 H   -2.931000       1.255500       2.034800    
 H   -3.153700     -0.4493000       2.129900    
 H   0.3490000       3.097400     -0.2865000    
 H   -1.178100       2.553000      0.3084000    
 H   -1.500300      -2.455600      0.9100000    
 H   -1.536700      -2.557400     -0.7668000    
 H    3.889500       1.024700       1.574100    
 H    4.099200       1.781900     -3.1099999E-02
 H    5.421100      0.8481000      0.6938000    


%chk=000096282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096282

0 1
S -2.517185 0.291794 0.017762
S 3.726133 -0.751676 0.448009
O -2.848740 1.816903 -0.494359
O -3.297366 -0.977680 -0.668405
N 1.570468 0.900888 0.100206
N 1.182360 -1.506315 0.179859
N -2.972642 0.101637 1.784770
N -0.169369 2.437035 -0.150920
N -0.952336 -2.425150 -0.024975
C -0.691656 0.027124 -0.000143
C 0.218135 1.133715 -0.022201
C -0.171386 -1.311174 0.051788
C 1.961584 -0.394048 0.221726
C 4.444737 0.985908 0.438050
H -2.831815 0.990272 2.292075
H -3.944471 -0.248637 1.825326
H 0.566114 3.141289 -0.160916
H -1.151982 2.658959 -0.363176
H -0.482755 -3.327049 0.035661
H -1.950854 -2.342549 -0.256452
H 4.027660 1.567724 1.271456
H 4.213221 1.478032 -0.516419
H 5.531246 0.851299 0.558077


