%chk=000071788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071788

0 1
 S    3.166000      -1.718400     -0.5687000    
 S   0.5208000      -1.644500      0.8622000    
 O    1.814800       1.183500       1.669400    
 O    1.859500      0.9126000      -1.971000    
 O    4.486800       1.155000     -0.8178000    
 N   -5.949600       1.091000     -0.5352000    
 C    2.353100       1.286400      0.3538000    
 C    1.468500      0.5270000     -0.6480000    
 C    3.813600      0.8243000      0.3943000    
 C    1.484600      -1.008100     -0.5517000    
 C    3.981800     -0.6666000      0.6708000    
 C   -1.093800     -0.9619000      0.5135000    
 C   -1.743600      -1.293900     -0.6722000    
 C   -1.694600     -0.1020000       1.428600    
 C   -3.003800     -0.7616000     -0.9449000    
 C   -2.954800      0.4301000       1.156300    
 C   -3.609400      0.1004000     -3.0600000E-02
 C   -4.900000      0.6466000     -0.3089000    
 H    2.338600       2.347800      7.3799998E-02
 H   0.4462000      0.9031000     -0.5379000    
 H    4.333700       1.366800       1.193100    
 H    1.022800      -1.418600      -1.455700    
 H    5.045200     -0.9278000      0.6507000    
 H    3.598300     -0.9269000       1.662500    
 H    2.352400       1.744100       2.254400    
 H    1.231100      0.5083000      -2.593200    
 H    4.077300      0.6409000      -1.534200    
 H   -1.296400      -1.971400      -1.394700    
 H   -1.198300      0.1665000       2.357900    
 H   -3.502400      -1.029500      -1.873300    
 H   -3.413800       1.101100       1.878600    


%chk=000071788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071788

0 1
S 3.298619 -1.664550 -0.813261
S 0.526781 -1.826869 0.475947
O 1.606333 1.087518 1.672860
O 2.271272 1.219599 -1.915643
O 4.691706 1.264544 -0.481930
N -6.162797 1.066276 -0.143108
C 2.399398 1.282678 0.448642
C 1.606622 0.643109 -0.716818
C 3.853567 0.751316 0.599081
C 1.589644 -0.898008 -0.836565
C 3.930098 -0.778208 0.736757
C -1.138079 -1.045216 0.273395
C -2.124111 -1.711086 -0.495965
C -1.453212 0.163197 0.944279
C -3.421604 -1.170285 -0.605218
C -2.747826 0.709618 0.835369
C -3.739947 0.046949 0.058718
C -5.063688 0.603266 -0.050564
H 2.478076 2.361347 0.201229
H 0.561355 1.004362 -0.661965
H 4.284924 1.194584 1.519582
H 1.159807 -1.177255 -1.815851
H 4.979255 -1.099026 0.832741
H 3.341176 -1.132588 1.599475
H 1.998850 1.641808 2.393933
H 1.866792 0.850128 -2.740830
H 4.180160 1.155183 -1.332860
H -1.873611 -2.651520 -0.996752
H -0.677681 0.654730 1.540851
H -4.187652 -1.682400 -1.195751
H -2.999627 1.641098 1.352124


