%chk=000055517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055517

0 1
 S   0.2214000       3.635900      0.9133000    
 O  -0.6487000      -1.235500     -3.1999999E-03
 O   -1.591100       1.406000      0.5706000    
 O    1.052600       2.220100       1.203300    
 O   -1.944500       1.743000      -1.692800    
 N  -0.5224000       3.189800     -0.5636000    
 C  -0.6547000      -2.626400     -0.4370000    
 C   -2.024500      -3.252100     -8.4799998E-02
 C   -2.808300      -2.024900      0.1813000    
 C   -1.962600     -0.9301000      0.2354000    
 C   0.4837000      -3.341800      0.2921000    
 C  -0.3982000      -2.643200      -1.949300    
 C   -4.165600      -1.884600      0.4082000    
 C   -2.428300      0.3402000      0.5158000    
 C   -4.661100     -0.6078000      0.6849000    
 C   -3.797300      0.4980000      0.7392000    
 C    4.238500      0.5738000      8.3600000E-02
 C    4.918500     -0.7647000      0.3848000    
 C    2.917800      0.7655000      0.8277000    
 C    6.252300     -0.9459000     -0.3409000    
 C    2.263800       2.094000      0.4718000    
 C    6.850700      -2.317300     -6.6299997E-02
 C   -1.390100       2.096500     -0.6522000    
 C  -0.2017000       4.011500      -1.721500    
 H   -2.439500      -3.848500     -0.9029000    
 H   -1.978600      -3.864300      0.8223000    
 H   0.5392000      -4.398600      1.2200000E-02
 H   0.3533000      -3.274400       1.378200    
 H    1.447400      -2.869900      6.8700001E-02
 H   -1.181900      -2.099100      -2.488600    
 H  -0.3569000      -3.665900      -2.337800    
 H   0.5461000      -2.140900      -2.188200    
 H   -4.831700      -2.740000      0.3782000    
 H   -5.723600     -0.4687000      0.8653000    
 H   -4.205200       1.481100      0.9603000    
 H    4.059700      0.6467000     -0.9965000    
 H    4.922700       1.390000      0.3467000    
 H    4.238400      -1.578500      0.1030000    
 H    5.081900     -0.8500000       1.466400    
 H    2.227800     -5.4200001E-02  0.5917000    
 H    3.083300      0.7167000       1.911000    
 H    6.957100     -0.1700000     -2.1000000E-02
 H    6.106200     -0.8276000      -1.420700    
 H    2.063000       2.120600     -0.6059000    
 H    2.939200       2.920000      0.7273000    
 H    7.804500      -2.426300     -0.5919000    
 H    6.181500      -3.113400     -0.4083000    
 H    7.034100      -2.457900       1.003600    
 H  -0.5328000       5.038300      -1.537200    
 H  -0.7035000       3.638100      -2.618400    
 H   0.8790000       3.995500      -1.893100    


%chk=000055517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055517

0 1
S 0.314551 3.099591 0.954756
O -1.479459 -1.380866 -0.582235
O -1.946928 1.319132 0.566506
O 1.526858 1.768018 1.281174
O -2.019524 1.422320 -1.791000
N -0.445571 2.662012 -0.585056
C -1.765373 -2.742819 -1.238717
C -3.018586 -3.286699 -0.470510
C -3.609044 -2.040443 0.174135
C -2.653008 -1.003097 0.069666
C -0.497543 -3.579063 -1.050457
C -2.076315 -2.442157 -2.715151
C -4.825544 -1.822375 0.842171
C -2.913388 0.272056 0.605742
C -5.080444 -0.543869 1.404088
C -4.129018 0.495789 1.284242
C 5.083085 0.745418 0.352608
C 6.010542 -0.364493 0.897341
C 3.710453 0.777677 1.067387
C 7.386222 -0.407829 0.193528
C 2.799980 1.883228 0.520603
C 8.306710 -1.519835 0.741474
C -1.512019 1.755358 -0.696948
C 0.107385 3.173336 -1.864368
H -3.719667 -3.786439 -1.162214
H -2.719268 -4.024847 0.298904
H -0.632475 -4.583108 -1.492959
H -0.262180 -3.694988 0.021407
H 0.362262 -3.094457 -1.544611
H -2.969881 -1.799669 -2.802096
H -2.258526 -3.381455 -3.270037
H -1.230067 -1.911513 -3.183120
H -5.565805 -2.624690 0.933340
H -6.021228 -0.353607 1.930299
H -4.315737 1.487582 1.707527
H 4.932331 0.593265 -0.736686
H 5.585552 1.728886 0.465306
H 5.510459 -1.348916 0.784846
H 6.161453 -0.215241 1.986724
H 3.198118 -0.195897 0.946872
H 3.852283 0.935831 2.153604
H 7.884987 0.576420 0.307677
H 7.234423 -0.554783 -0.895471
H 2.605653 1.731552 -0.561376
H 3.247175 2.887198 0.670816
H 9.283774 -1.528511 0.224222
H 7.845642 -2.516978 0.609876
H 8.497647 -1.379600 1.822221
H 0.855113 3.945757 -1.630735
H -0.701140 3.608319 -2.475741
H 0.575978 2.358301 -2.444774


