%chk=000003185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003185

0 1
 S    7.623000       1.377800      0.1948000    
 O    1.680900      -2.813000      0.7936000    
 O    8.643100       2.224000     -0.3961000    
 O    6.917100       1.799000       1.388600    
 N   -2.310100     -0.4464000     -0.4207000    
 N   -6.558100      0.4532000      0.8555000    
 N    6.518400      0.9127000      -1.041900    
 C   0.4228000     -0.8132000      0.5519000    
 C   0.1200000     -0.2229000     -0.8240000    
 C  -0.7327000      -1.698000       1.016700    
 C   -1.242900      0.4716000     -0.8419000    
 C   -2.067400     -0.9551000      0.9365000    
 C   -3.612600      0.2154000     -0.4936000    
 C    1.684000      -1.618900      0.5036000    
 C   -4.743700     -0.7660000     -0.1848000    
 C    2.953700     -0.9534000      9.6699998E-02
 C   -6.094100     -0.1014000     -0.2785000    
 C    3.116500      0.3861000      0.3725000    
 C    3.918500      -1.702500     -0.5397000    
 C   -6.752500     -0.1037000      -1.489100    
 C    4.305300       1.008600     -7.8999996E-03
 C    5.107400      -1.079800     -0.9199000    
 C    5.300800      0.2756000     -0.6541000    
 C   -7.769000       1.047700      0.7665000    
 C   -7.995300      0.5175000      -1.541100    
 C   -8.520400       1.106600     -0.3961000    
 C   -8.301800       1.669200       2.014100    
 C    8.388900     -0.1906000      0.5383000    
 H   0.5314000     -1.5400000E-02   1.295800    
 H   0.8779000      0.5051000      -1.130700    
 H   0.1345000      -1.016400      -1.584000    
 H  -0.7974000      -2.605400      0.4001000    
 H  -0.5640000      -2.032100       2.048300    
 H   -1.433800      0.8188000      -1.864700    
 H   -1.212300       1.359500     -0.1964000    
 H   -2.083000     -0.1401000       1.671800    
 H   -2.818100      -1.689100       1.240200    
 H   -3.762600      0.6115000      -1.506700    
 H   -3.658500       1.074300      0.1899000    
 H   -4.704500      -1.630400     -0.8602000    
 H   -4.681300      -1.164600      0.8327000    
 H    2.374100      0.9841000      0.8882000    
 H    3.778900      -2.757100     -0.7567000    
 H   -6.331600     -0.5650000      -2.375400    
 H    4.437900       2.067500      0.1987000    
 H    5.876400      -1.660900      -1.422500    
 H   -8.553500      0.5430000      -2.472100    
 H    6.950600      0.5083000      -1.883500    
 H   -9.489000       1.594300     -0.4245000    
 H   -9.249700       1.201000       2.298000    
 H   -8.462200       2.741900       1.866700    
 H   -7.601000       1.544100       2.846200    
 H    9.177100     -2.4300000E-02   1.276300    
 H    8.823800     -0.5838000     -0.3825000    
 H    7.643800     -0.8752000      0.9465000    


%chk=000003185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003185

0 1
S 7.399422 1.592174 -0.492071
O 1.476335 -3.337881 -0.967220
O 8.453610 1.322516 -1.707461
O 6.031709 2.441857 -0.722348
N -2.396597 -0.463634 -0.497765
N -6.544670 0.456483 0.860704
N 6.927485 -0.157835 0.418746
C 0.358437 -1.409387 0.019560
C 0.029794 -0.326385 -1.057900
C -0.878254 -2.313328 0.219861
C -1.241810 0.450232 -0.665094
C -2.124170 -1.472055 0.556610
C -3.669832 0.267497 -0.291137
C 1.595907 -2.206023 -0.406298
C -4.914130 -0.592832 -0.639826
C 2.967169 -1.620251 -0.195120
C -6.197273 0.189304 -0.437820
C 3.198857 -0.393609 0.488858
C 4.085617 -2.334908 -0.710293
C -6.978168 0.643178 -1.531897
C 4.502111 0.095893 0.675279
C 5.387463 -1.839336 -0.560290
C 5.615815 -0.626183 0.158328
C -7.678750 1.182828 1.112935
C -8.148319 1.389122 -1.272733
C -8.506121 1.665030 0.065935
C -8.001412 1.435444 2.570718
C 8.350712 2.380879 0.952195
H 0.570453 -0.880640 0.972436
H 0.872546 0.379353 -1.182895
H -0.140760 -0.829807 -2.027856
H -1.054712 -2.893153 -0.702492
H -0.690701 -3.040494 1.032622
H -1.485459 1.181190 -1.458553
H -1.038104 1.033151 0.274400
H -1.983797 -0.974416 1.554425
H -2.999598 -2.138499 0.649906
H -3.660816 1.154969 -0.953266
H -3.782085 0.640149 0.756659
H -4.823103 -0.939680 -1.683985
H -4.939919 -1.482772 0.015439
H 2.360157 0.180686 0.894161
H 3.892734 -3.273476 -1.239787
H -6.671728 0.410020 -2.556754
H 4.674423 1.029335 1.217659
H 6.239766 -2.386313 -0.982721
H -8.772149 1.748760 -2.098439
H 7.649010 -0.785740 0.007068
H -9.408020 2.239634 0.300009
H -8.139523 0.477635 3.104188
H -8.915619 2.041068 2.688330
H -7.162222 1.957441 3.064510
H 8.656130 3.375557 0.598600
H 9.208125 1.726711 1.157882
H 7.647731 2.424244 1.793398


