%chk=000078306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078306

0 1
 S   -2.715900     -0.2878000     -0.4226000    
 S    2.724600     -0.2728000     -0.4150000    
 O   -2.483300      -1.337200      -1.407400    
 O   -3.730800      0.7277000     -0.6772000    
 O    3.754200      0.7320000     -0.6511000    
 O    2.481500      -1.304900      -1.415700    
 N   -2.990900      -1.018000       1.113800    
 N    3.000900      -1.001400       1.122000    
 N   -4.203500      -1.674000       1.028700    
 N    4.166400      -1.734200       1.008800    
 C   -1.206400      0.5369000     -0.1219000    
 C    1.209600      0.5428000     -0.1173000    
 C   3.5999999E-03 -0.1155000     -0.3585000    
 C   -1.210500       1.847400      0.3559000    
 C    1.205300       1.853400      0.3604000    
 C  -4.6999999E-03   2.505600      0.5971000    
 H   6.0000001E-03  -1.141300     -0.7167000    
 H   -2.140500       2.372400      0.5547000    
 H    2.132500       2.382600      0.5617000    
 H  -7.8999996E-03   3.524900      0.9723000    
 H   -2.264000      -1.662600       1.452200    
 H    3.061600     -0.3643000       1.927600    
 H   -4.418700      -1.997200       1.971000    
 H   -4.044500      -2.514900      0.4739000    
 H    4.257500      -2.259300       1.877500    
 H    4.935400      -1.064400       1.004500    


%chk=000078306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078306

0 1
S -3.003978 0.499670 1.593317
S 2.683070 0.340741 2.026760
O -2.610871 -0.986701 2.257851
O -3.728917 0.201345 -0.016704
O 3.828690 0.727563 0.865161
O 2.323919 -1.404199 1.872866
N -2.579909 -2.941125 0.331834
N 3.990696 -1.238039 -1.037590
N -3.039335 -2.204238 -0.609802
N 3.197349 -2.056720 -0.454006
C -1.287468 1.107095 1.020424
C 1.096955 1.024769 1.212588
C -0.156196 0.545188 1.638478
C -1.203117 2.099873 0.024350
C 1.239530 2.017704 0.226531
C 0.075739 2.550992 -0.377222
H -0.266435 -0.259965 2.375009
H -2.110818 2.487773 -0.449392
H 2.244374 2.337914 -0.071352
H 0.165548 3.314188 -1.157130
H -2.530966 -2.314492 1.224145
H 4.065954 -0.361732 -0.389618
H -3.118708 -2.722927 -1.513773
H -3.428229 -0.799588 -0.375047
H 3.057478 -2.933898 -1.004832
H 2.613142 -1.755294 0.865854


