%chk=000085592.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085592

0 1
 S   0.4907000       3.115600     -0.9829000    
 S  -0.6461000       3.216300      0.7303000    
 O    4.347200      -2.625700      -1.031500    
 O   -3.749100      -2.964100      0.6249000    
 N    4.635500     -0.8960000      0.5444000    
 N   -4.727500      -1.018100     -0.2775000    
 C    3.666400      4.2199999E-02  0.1873000    
 C   -3.773300     -2.8000001E-02 -4.1800000E-02
 C    1.728300       1.917500     -0.5267000    
 C   -1.866100       1.950400      0.4288000    
 C    2.824100     -0.2038000     -0.8969000    
 C   -2.577900     -0.3505000      0.6003000    
 C    3.539700       1.225700      0.9146000    
 C   -4.014600       1.284300     -0.4484000    
 C    1.855200      0.7339000      -1.254000    
 C   -1.623700      0.6392000      0.8360000    
 C    2.570700       2.163400      0.5576000    
 C   -3.060400       2.274200     -0.2129000    
 C    4.909600      -2.129800     -6.0600001E-02
 C   -4.663500      -2.377900      5.4699998E-02
 C    6.040600      -2.851400      0.6284000    
 C   -5.906000      -3.117400     -0.3741000    
 H    2.861200      -1.095800      -1.506300    
 H   -2.319700      -1.342400      0.9435000    
 H    4.190900       1.431300       1.760400    
 H   -4.941900       1.549800     -0.9500000    
 H    1.206000      0.5256000      -2.101100    
 H  -0.6980000      0.3700000       1.338900    
 H    2.499000       3.082500       1.133900    
 H   -3.266300       3.291400     -0.5369000    
 H    5.209700     -0.6434000       1.346000    
 H   -5.572000     -0.7034000     -0.7507000    
 H    6.955300      -2.255900      0.5588000    
 H    6.209200      -3.819800      0.1492000    
 H    5.790200      -3.015500       1.680300    
 H   -6.777100      -2.707600      0.1446000    
 H   -5.810400      -4.178100     -0.1257000    
 H   -6.043200      -3.017600      -1.454600    


%chk=000085592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085592

0 1
S 0.634627 3.456963 -0.824265
S -0.837979 3.385748 1.013994
O 3.862232 -2.808183 -0.581130
O -3.766848 -3.013331 0.595232
N 4.694795 -0.881664 0.475400
N -4.688392 -1.100733 -0.411661
C 3.706380 0.087504 0.152819
C -3.743550 -0.096470 -0.066667
C 1.821311 2.135145 -0.409056
C -1.956107 2.020729 0.552929
C 2.550465 -0.207868 -0.621496
C -2.570049 -0.360352 0.692363
C 3.908629 1.410151 0.641801
C -4.010692 1.229246 -0.514472
C 1.621164 0.816829 -0.891736
C -1.689657 0.698827 0.991754
C 2.975260 2.423098 0.364969
C -3.125606 2.276722 -0.208910
C 4.744648 -2.236000 0.121225
C -4.677961 -2.463659 -0.088185
C 5.960597 -2.988007 0.658179
C -5.867749 -3.253454 -0.629411
H 2.399205 -1.221653 -0.995298
H -2.368661 -1.376863 1.033665
H 4.800212 1.643072 1.238663
H -4.915481 1.437569 -1.100439
H 0.728825 0.596095 -1.486484
H -0.784518 0.502740 1.575738
H 3.131591 3.438199 0.742755
H -3.332226 3.294509 -0.553881
H 5.471877 -0.538503 1.044497
H -5.483240 -0.778214 -0.968149
H 6.492994 -3.455442 -0.187610
H 5.614070 -3.804333 1.315451
H 6.670407 -2.356959 1.220966
H -6.398576 -3.723614 0.216218
H -5.492397 -4.068822 -1.271395
H -6.586902 -2.647924 -1.208070


