%chk=000094807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094807

0 1
 S   -3.713000       1.605800      0.2876000    
 S    3.713000       1.605700     -0.2876000    
 O   -4.553200       1.330400       1.661400    
 O    4.553200       1.330400      -1.661400    
 O   -2.741400       2.646700      0.5821000    
 O   -4.661700       1.758100     -0.8025000    
 O    2.741400       2.646700     -0.5821000    
 O    4.661700       1.758100      0.8025000    
 N   -4.892400      -1.071200     -0.5706000    
 N    4.892300      -1.071100      0.5706000    
 C  -0.7185000      -1.044700     -8.3600000E-02
 C   0.7185000      -1.044800      8.3600000E-02
 C   -2.833200      0.1216000     -1.2400000E-02
 C    2.833300      0.1216000      1.2500000E-02
 C   -1.447500      0.1217000      0.1476000    
 C    1.447600      0.1217000     -0.1477000    
 C   -1.375200      -2.211600     -0.4748000    
 C    1.375300      -2.211500      0.4747000    
 C   -3.490000      -1.045100     -0.4036000    
 C    3.490000      -1.045200      0.4036000    
 C   -2.761000      -2.211700     -0.6346000    
 C    2.761000      -2.211700      0.6346000    
 H  -0.9529000       1.024700      0.4917000    
 H   0.9528000       1.024600     -0.4918000    
 H  -0.8468000      -3.134900     -0.6955000    
 H   0.8468000      -3.134900      0.6954000    
 H   -3.259800      -3.126200     -0.9460000    
 H    3.259600      -3.126200      0.9460000    
 H   -5.346000      -1.929500     -0.8550000    
 H   -5.453400     -0.2488000     -0.3997000    
 H    5.346000      -1.929500      0.8550000    
 H    5.453400     -0.2488000      0.3995000    
 H   -4.007100       1.141300       2.460500    
 H    4.007100       1.141400      -2.460500    


%chk=000094807-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094807

0 1
S -3.792622 1.601758 0.273959
S 3.792754 1.601632 -0.273868
O -4.085387 1.303916 2.088211
O 4.085665 1.303911 -2.088114
O -2.819609 2.882144 0.126675
O -5.250811 1.615915 -0.457861
O 2.819959 2.882180 -0.126531
O 5.250812 1.615276 0.458218
N -4.992730 -1.174361 -0.685183
N 4.992619 -1.174032 0.685016
C -0.736498 -1.117320 -0.093607
C 0.736381 -1.117303 0.093518
C -2.902103 0.014072 -0.081968
C 2.901963 0.014076 0.081835
C -1.509901 0.048348 0.111429
C 1.509767 0.048366 -0.111596
C -1.440882 -2.299149 -0.478842
C 1.440779 -2.299097 0.478866
C -3.631353 -1.149500 -0.478044
C 3.631213 -1.149412 0.477991
C -2.825389 -2.319326 -0.669584
C 2.825288 -2.319241 0.669650
H -1.046221 0.986490 0.436004
H 1.046087 0.986497 -0.436204
H -0.878412 -3.218718 -0.673937
H 0.878316 -3.218655 0.674032
H -3.320198 -3.244248 -0.987375
H 3.320117 -3.244127 0.987520
H -5.447253 -2.042037 -0.956936
H -5.532165 -0.300714 -0.650578
H 5.447346 -2.041582 0.956826
H 5.531978 -0.300374 0.649759
H -4.492223 2.138861 2.464483
H 4.492615 2.138854 -2.464263


