%chk=000068785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068785

0 1
 S    2.981000      -4.009700      0.1445000    
 O  -0.3955000      0.7763000     -0.6546000    
 O    2.179600      -5.036300      0.8054000    
 O   -2.197800      -2.655000      0.6580000    
 O   -6.460600       2.114000      1.9700000E-02
 O   -6.630400     -5.4800000E-02  0.6784000    
 N    3.746200      -4.215000      -1.188400    
 C    2.325700      0.9813000      -1.190400    
 C    2.802800       1.864900     -2.9200001E-02
 C    1.703600     -0.2899000     -0.7123000    
 C    3.473500       3.145300     -0.5303000    
 C   0.3345000     -0.3685000     -0.4494000    
 C    3.914700       4.034000      0.6337000    
 C  -0.2147000      -1.570600     -3.8999999E-03
 C    1.960900      -2.610300     -8.3300002E-02
 C    2.515100      -1.410300     -0.5291000    
 C   0.5938000      -2.695100      0.1811000    
 C    4.554700       5.328800      0.1333000    
 C   -1.659400      -1.630000      0.2663000    
 C   -2.423400     -0.3935000      4.0500000E-02
 C   -1.745700      0.7400000     -0.4077000    
 C    4.192700      -3.536900       1.361200    
 C    4.963900       6.229900       1.287400    
 C   -3.801200     -0.3528000      0.2696000    
 C   -2.451500       1.924600     -0.6289000    
 C   -4.500600      0.8334000      4.6900000E-02
 C   -3.827300       1.970100     -0.4014000    
 C   -5.934700      0.8863000      0.2829000    
 H    1.629200       1.539100      -1.828700    
 H    3.177500      0.7468000      -1.843000    
 H    1.950000       2.124000      0.6111000    
 H    3.508800       1.305700      0.5981000    
 H    4.342300       2.888400      -1.148300    
 H    2.773600       3.697900      -1.169000    
 H    4.628500       3.489200       1.263500    
 H    3.047400       4.273300       1.261100    
 H    3.581000      -1.340900     -0.7325000    
 H   0.1517000      -3.625700      0.5246000    
 H    5.437200       5.097100     -0.4743000    
 H    3.850200       5.868700     -0.5101000    
 H    3.672400      -3.209300       2.264000    
 H    4.808400      -4.410100       1.588900    
 H    4.815400      -2.731600      0.9677000    
 H    5.420400       7.149100      0.9071000    
 H    4.096700       6.507600       1.895100    
 H    5.692300       5.731500       1.935000    
 H   -4.324300      -1.239300      0.6190000    
 H   -1.935800       2.815300     -0.9780000    
 H   -4.335200       2.912500     -0.5866000    
 H    4.605000      -4.764900      -1.094100    
 H   -7.427700       2.139200      0.1824000    


%chk=000068785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068785

0 1
S 3.120998 -4.181138 -0.056375
O -0.279468 0.777751 -0.667493
O 2.189338 -5.508348 -0.374300
O -2.089553 -2.729941 0.765156
O -6.430161 2.148390 0.231088
O -6.533881 -0.069905 0.916699
N 4.503119 -3.687394 -0.924764
C 2.456234 1.027441 -1.326164
C 2.841413 1.973442 -0.152485
C 1.861732 -0.281613 -0.843356
C 3.445520 3.307376 -0.643467
C 0.485454 -0.393488 -0.497128
C 3.862983 4.242338 0.513911
C -0.101906 -1.598922 -0.023754
C 2.071122 -2.625840 -0.203824
C 2.655225 -1.436935 -0.685722
C 0.720816 -2.746591 0.116154
C 4.459887 5.583883 0.029985
C -1.547703 -1.671567 0.320098
C -2.304621 -0.409963 0.108917
C -1.649205 0.756449 -0.374173
C 3.424860 -4.289726 1.866036
C 4.889370 6.504816 1.192309
C -3.691175 -0.335121 0.383448
C -2.344592 1.968747 -0.582874
C -4.399669 0.865961 0.180572
C -3.717752 2.020999 -0.305969
C -5.855824 0.890629 0.484153
H 1.735083 1.553007 -1.978725
H 3.358631 0.816463 -1.929645
H 1.941493 2.176660 0.460996
H 3.567540 1.456988 0.507171
H 4.329269 3.099247 -1.282377
H 2.708974 3.828433 -1.290225
H 4.605684 3.723727 1.155530
H 2.982848 4.445475 1.159396
H 3.714757 -1.441735 -0.961863
H 0.266726 -3.691410 0.435950
H 5.333405 5.379611 -0.622452
H 3.714837 6.107482 -0.603266
H 2.435419 -4.390938 2.332310
H 4.039471 -5.190491 2.006222
H 3.948513 -3.368203 2.155943
H 5.312425 7.455964 0.820380
H 4.029351 6.749432 1.844057
H 5.657598 6.016472 1.821112
H -4.204149 -1.228077 0.755983
H -1.798770 2.839219 -0.956710
H -4.282141 2.944259 -0.459222
H 5.124983 -4.526792 -1.013434
H -7.399608 2.107280 0.449188


