%chk=000009565.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009565

0 1
 S    3.227100      -1.093400     -0.3868000    
 O   -3.206700     -0.7041000     -5.4900002E-02
 O    4.553700      -1.288700      0.1863000    
 O    2.996400      -1.483500      -1.772300    
 O   -5.338100       1.040100     -0.5798000    
 N    2.082900      -1.881000      0.6322000    
 N   9.7599998E-02 -0.9088000       1.456300    
 N   0.1395000      -1.980200     -0.7018000    
 C    2.812000      0.5927000     -0.2045000    
 C    3.412800       1.354600      0.7977000    
 C    1.879100       1.177900      -1.060700    
 C   0.6900000      -1.571800      0.4515000    
 C   -3.868000      3.1999999E-03  0.9998000    
 C    3.080700       2.701400      0.9438000    
 C    1.547100       2.524800     -0.9146000    
 C   -1.899100     -0.9952000      0.1151000    
 C    2.148000       3.286500      8.7700002E-02
 C   -5.310700      0.2489000      0.6021000    
 C   -1.207700     -0.6344000       1.253500    
 C   -1.167100      -1.672900     -0.8384000    
 C   -6.669300       1.283800      -1.012300    
 H    2.353500      -1.942100       1.622400    
 H    4.136200      0.9186000       1.480900    
 H    1.397700      0.6045000      -1.847800    
 H   -3.380700      0.9745000       1.150400    
 H   -3.853500     -0.5878000       1.923100    
 H    3.546800       3.294300       1.725300    
 H   0.8200000       2.980300      -1.580500    
 H   -5.838700      0.7685000       1.409300    
 H   -5.806600     -0.7077000      0.4000000    
 H    1.888800       4.335000      0.2019000    
 H   -1.650200     -0.1000000       2.085900    
 H   -1.620700      -1.998900      -1.768700    
 H   -7.228400       1.828500     -0.2454000    
 H   -6.630500       1.896700      -1.916800    
 H   -7.174100      0.3425000      -1.250200    


%chk=000009565-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009565

0 1
S 3.010846 -0.932201 0.234161
O -3.665748 -0.449185 -0.069160
O 4.204560 -1.483943 1.193073
O 2.504559 -1.772255 -1.056567
O -6.398852 0.680490 0.471718
N 1.616549 -0.700974 1.484433
N -0.613220 -1.313693 1.906069
N -0.030071 -0.030107 -0.088601
C 3.434194 0.830173 -0.284660
C 4.493506 1.451436 0.394594
C 2.716794 1.408727 -1.342355
C 0.278949 -0.695143 1.074915
C -4.733992 -1.031733 0.770787
C 4.853116 2.754496 -0.020865
C 3.096166 2.711505 -1.740414
C -2.356813 -0.569206 0.386470
C 4.156151 3.379344 -1.081894
C -6.063969 -0.696982 0.117175
C -1.932759 -1.222627 1.572053
C -1.340518 0.008313 -0.424537
C -7.600134 1.154942 -0.212883
H 1.819859 -1.286427 2.309667
H 5.021442 0.928018 1.198013
H 1.893380 0.867338 -1.815669
H -4.701025 -0.594146 1.787840
H -4.590779 -2.129878 0.830745
H 5.675640 3.274083 0.481239
H 2.562131 3.200976 -2.561308
H -6.846652 -1.394664 0.493479
H -5.981910 -0.820479 -0.984565
H 4.442450 4.388110 -1.398792
H -2.634486 -1.700930 2.262101
H -1.612600 0.515177 -1.356239
H -8.490728 0.544280 0.050366
H -7.755872 2.190948 0.125081
H -7.470365 1.143017 -1.315770


