%chk=000117534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117534

0 1
 S   0.6782000      -3.816400     -0.4104000    
 S    5.169800      0.4793000       1.511800    
 O   -1.393200       2.596600     -0.6419000    
 O   -4.185100      -1.747200      0.7294000    
 O   1.2100000E-02  -4.614100      -1.670200    
 O    2.072200      -3.575600     -0.7440000    
 O   0.3116000      -4.509200      0.8126000    
 O    5.085400       1.575200       2.722100    
 O    4.463400     -0.7097000       1.966000    
 O    6.554400      0.3970000       1.073100    
 N   0.7838000       1.227400      -1.086700    
 N   -2.173400      -3.330100      0.3504000    
 C   -1.362900      0.2454000     -0.3441000    
 C   -2.092200     -0.8906000      1.3100000E-02
 C  -1.8700000E-02  0.1238000     -0.7161000    
 C   -1.477400      -2.148300     -2.3000001E-03
 C  -0.1377000      -2.265100     -0.3738000    
 C   -3.418100       1.692400      6.1900001E-02
 C   -1.999400       1.578400     -0.3331000    
 C   -4.147300      0.5564000      0.4194000    
 C   -3.511000     -0.7767000      0.4082000    
 C   0.5902000      -1.131400     -0.7298000    
 C   -4.033100       2.950000      7.6499999E-02
 C   -5.491600      0.6780000      0.7916000    
 C    2.161800       1.481800     -0.9713000    
 C   -5.372800       3.066700      0.4480000    
 C   -6.100600       1.933100      0.8046000    
 C    2.892700      0.9249000      8.1100002E-02
 C    2.806400       2.293700      -1.907900    
 C    4.259500       1.178100      0.1960000    
 C    4.173200       2.546900      -1.793000    
 C    4.899800       1.989000     -0.7410000    
 H    1.621600      -1.230100      -1.054100    
 H   0.2721000       1.960300      -1.568900    
 H   -3.489800       3.850600     -0.1968000    
 H   -6.083000     -0.1888000       1.074400    
 H   -1.727600      -4.235100      0.3070000    
 H   -3.144500      -3.288600      0.6248000    
 H   -5.849400       4.042800      0.4591000    
 H   -7.143500       2.026900       1.093300    
 H    2.394200      0.3206000      0.8343000    
 H    2.251800       2.734400      -2.732500    
 H    4.671300       3.179700      -2.521600    
 H    5.961500       2.206800     -0.6681000    
 H   0.1370000      -4.191500      -2.552400    
 H    4.178000       1.764000       3.058800    


%chk=000117534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117534

0 1
S 0.719531 -3.829017 -0.305749
S 5.501965 0.242261 1.174500
O -1.469681 2.685145 -0.696278
O -4.392749 -1.803134 0.661979
O 0.211218 -4.166568 -2.057223
O 2.312402 -3.583683 -0.251194
O 0.032496 -4.961525 0.639534
O 5.531897 1.572127 2.474038
O 4.760538 -1.062140 1.776808
O 6.983296 0.134018 0.533044
N 0.698050 1.352520 -0.762683
N -2.293909 -3.299424 0.485132
C -1.459813 0.304828 -0.240216
C -2.230141 -0.871075 0.080085
C -0.037383 0.212940 -0.461261
C -1.603251 -2.175461 0.144221
C -0.198040 -2.198547 -0.169950
C -3.568172 1.723630 -0.048948
C -2.124496 1.620468 -0.344215
C -4.320510 0.564779 0.293052
C -3.675374 -0.770458 0.357618
C 0.567697 -1.082556 -0.453168
C -4.208718 2.988632 -0.112314
C -5.706386 0.683073 0.568490
C 2.096908 1.533449 -0.779495
C -5.583414 3.097753 0.166013
C -6.334308 1.941373 0.507134
C 2.984712 0.842954 0.092965
C 2.626363 2.524416 -1.656765
C 4.345097 1.162772 0.016010
C 4.004803 2.808898 -1.689199
C 4.906061 2.115217 -0.847011
H 1.623593 -1.211845 -0.710533
H 0.068101 2.186700 -0.906443
H -3.606489 3.861817 -0.379547
H -6.260785 -0.224110 0.825953
H -1.800944 -4.192310 0.605416
H -3.304677 -3.163541 0.669045
H -6.075894 4.074682 0.119751
H -7.404405 2.029572 0.722520
H 2.634748 0.116328 0.832557
H 1.940204 3.058387 -2.322912
H 4.385384 3.568446 -2.378965
H 5.983697 2.298529 -0.867949
H 0.612381 -5.043442 -2.329644
H 6.178098 1.284824 3.183296


