%chk=000081155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081155

0 1
 S   -4.230400       1.062300     -0.9513000    
 O    2.256400       3.478300       1.595200    
 O    2.001600      -2.231200     -0.2904000    
 O    4.304200       2.551800      0.3188000    
 O   -4.664400     -0.3980000     -0.3412000    
 O   -3.372800      0.8371000      -2.102200    
 O   -3.767600       1.894100      0.1462000    
 N  -0.1620000      -1.496100      0.9711000    
 N   -5.730700       1.724300      -1.526200    
 C    1.795500     -3.4499999E-02  0.5753000    
 C    2.400200       1.214400      0.7332000    
 C   0.5138000     -0.2599000       1.091400    
 C    3.850600     -0.8717000     -0.6730000    
 C    4.455500      0.3771000     -0.5148000    
 C    2.498600      -1.123000     -0.1339000    
 C    3.752300       1.465700      0.1941000    
 C    1.722900       2.238000       1.406700    
 C  -0.1575000      0.7628000       1.762000    
 C   0.4457000       2.009100       1.919200    
 C    4.527700      -1.895000      -1.347200    
 C    5.737300      0.6025000      -1.030900    
 C   -1.525200      -1.829600      0.8865000    
 C    5.804900      -1.666100      -1.859800    
 C    6.408300     -0.4200000      -1.702100    
 C   -2.431300     -0.9381000      0.3068000    
 C   -1.980100      -3.054100       1.382200    
 C   -3.783600      -1.269000      0.2231000    
 C   -3.332500      -3.384900       1.298500    
 C   -4.234300      -2.492400      0.7189000    
 C   -6.432000      0.9358000      -2.573900    
 C   -6.671200       2.210300     -0.4820000    
 H   -1.139900      0.6162000       2.202800    
 H   0.4553000      -2.302300      0.9923000    
 H  -8.3499998E-02   2.796900       2.448900    
 H    4.081200      -2.876100      -1.484800    
 H    6.230900       1.564400     -0.9219000    
 H    6.329600      -2.460400      -2.382800    
 H    7.402800     -0.2445000      -2.102300    
 H   -2.040900     -1.2000000E-02 -9.6199997E-02
 H   -1.287800      -3.758200       1.837100    
 H   -5.286700      -2.755400      0.6567000    
 H   -3.683600      -4.337300       1.684900    
 H    3.141300       3.534800       1.204700    
 H   -7.228900       1.538600      -3.020500    
 H   -6.868000      2.8300000E-02  -2.146500    
 H   -5.738900      0.6668000      -3.375700    
 H   -6.181000       2.953100      0.1532000    
 H   -7.028000       1.377400      0.1306000    
 H   -7.531200       2.699700     -0.9499000    


%chk=000081155-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081155

0 1
S -5.268302 1.033011 0.684277
O 2.048327 3.719708 0.084144
O 2.193385 -2.410768 0.063831
O 4.247554 2.706660 -0.485109
O -4.945826 -0.837072 -0.244206
O -3.806350 1.720335 0.853857
O -6.280238 0.942496 1.943325
N -0.142789 -1.438738 0.543474
N -6.153122 1.917627 -0.685627
C 1.788099 -0.022436 0.105624
C 2.356464 1.296898 -0.017853
C 0.389752 -0.161589 0.428096
C 4.067163 -0.991928 -0.455262
C 4.614636 0.319657 -0.593056
C 2.641994 -1.197835 -0.086769
C 3.759907 1.498482 -0.368232
C 1.545887 2.454873 0.200179
C -0.388016 1.028345 0.682346
C 0.174975 2.294334 0.571482
C 4.900517 -2.119338 -0.668544
C 5.980018 0.485889 -0.940274
C -1.493820 -1.829940 0.677103
C 6.253948 -1.946402 -1.015525
C 6.796167 -0.640642 -1.151531
C -2.568035 -1.113336 0.101266
C -1.769285 -3.040151 1.383455
C -3.906800 -1.546162 0.313506
C -3.099151 -3.484204 1.557000
C -4.181206 -2.726319 1.067037
C -5.307710 2.081168 -1.889083
C -7.520378 1.388714 -0.898701
H -1.431603 0.949796 0.999208
H 0.604160 -2.178789 0.464397
H -0.415933 3.190598 0.779796
H 4.459524 -3.114089 -0.554929
H 6.369098 1.504066 -1.036004
H 6.891676 -2.821350 -1.180874
H 7.849894 -0.511601 -1.420369
H -2.401090 -0.234476 -0.525027
H -0.936684 -3.608783 1.812254
H -5.221348 -3.023528 1.229824
H -3.287592 -4.411440 2.107891
H 3.065350 3.607691 -0.177153
H -5.767368 2.883752 -2.494196
H -5.234557 1.159122 -2.500172
H -4.301438 2.411498 -1.585413
H -7.996798 1.207444 0.078161
H -7.540142 0.460797 -1.504975
H -8.090314 2.177957 -1.421751


