%chk=000002646.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002646

0 1
 S    1.930800      -1.957600      -1.581300    
 O   0.9336000       2.365400     -0.1892000    
 O   -1.843700      -2.156600     -0.3880000    
 O    4.247100       2.341400     -0.9634000    
 O    4.321100       2.023900       1.300100    
 O   -7.488400       1.579700      -1.138800    
 N    2.089900      0.3091000     -0.2087000    
 N   -1.070200     -8.9299999E-02  0.3220000    
 N   -3.455700      -2.303300       1.850700    
 C    1.316700     -0.9196000     -0.2365000    
 C   9.5500000E-02 -3.1300001E-02 -0.5582000    
 C    1.044900       1.163900     -0.2611000    
 C    3.447100      0.3474000     -0.1406000    
 C    3.605300      -2.085400     -0.8626000    
 C    4.193200     -0.7550000     -0.3955000    
 C   -1.958100      -1.166900      0.3333000    
 C    4.051700       1.652600      0.1772000    
 C   -3.104800     -0.9824000       1.321300    
 C    5.638500     -0.8137000     -0.2802000    
 C   -4.281300     -0.2944000      0.6606000    
 C    6.309600     -0.2231000      0.7062000    
 C   -4.730700      0.9106000       1.170100    
 C   -4.879500     -0.8876000     -0.4365000    
 C    7.797000     -0.2776000      0.8273000    
 C   -5.814900       1.543500      0.5620000    
 C   -5.963600     -0.2547000      -1.044700    
 C   -6.431200      0.9609000     -0.5455000    
 H    1.274700      -1.411800      0.7429000    
 H  -0.2219000     -2.9400000E-02  -1.609900    
 H   -1.263600      0.6890000      0.9480000    
 H    4.232100      -2.531200      -1.642900    
 H    3.573000      -2.786400     -2.0600000E-02
 H   -2.743100     -0.3815000       2.165300    
 H    6.174300      -1.342300      -1.064000    
 H    5.809700      0.2482000       1.543100    
 H   -4.178600      -2.202000       2.562700    
 H   -2.648600      -2.704000       2.328000    
 H    4.650600       3.220400     -0.7996000    
 H   -4.258700       1.373900       2.031300    
 H   -4.533600      -1.836000     -0.8364000    
 H    8.264100     -0.8186000     -1.8000000E-03
 H    8.077700     -0.7758000       1.760400    
 H    8.205400      0.7376000      0.8436000    
 H   -6.169400       2.490400      0.9604000    
 H   -6.440400     -0.7138000      -1.906400    
 H   -7.676100       2.407500     -0.6640000    


%chk=000002646-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002646

0 1
S 2.321648 -3.033826 0.528635
O 0.320552 0.090501 -2.344361
O -2.216799 -3.524918 -0.391852
O 4.083456 0.975292 -2.406498
O 2.592818 2.259734 -1.166860
O -4.786841 3.708272 0.414501
N 1.697218 -0.498920 -0.413595
N -1.405055 -1.400556 0.103747
N -4.790480 -2.746587 0.060634
C 1.165783 -1.539084 0.494769
C -0.092847 -1.657208 -0.441779
C 0.582724 -0.533208 -1.305119
C 3.028991 -0.053860 -0.502732
C 3.836818 -1.973570 0.975612
C 4.045666 -0.688870 0.181385
C -2.400756 -2.363974 0.079458
C 3.200410 1.180529 -1.347850
C -3.756286 -1.960641 0.734636
C 5.416387 -0.149077 0.272679
C -4.039862 -0.457000 0.683022
C 5.747204 1.163780 0.454749
C -3.763638 0.374577 1.794814
C -4.572923 0.132812 -0.494092
C 7.159074 1.688943 0.522294
C -3.997670 1.768324 1.739278
C -4.810954 1.516424 -0.565521
C -4.519399 2.336241 0.552574
H 0.980835 -1.185493 1.521209
H -0.129117 -2.623851 -0.976992
H -1.660913 -0.453777 0.399013
H 4.698536 -2.646292 0.816464
H 3.786134 -1.755369 2.058056
H -3.618539 -2.233466 1.814629
H 6.227707 -0.892057 0.232033
H 4.942957 1.905478 0.571425
H -5.694496 -2.770587 0.534743
H -4.451552 -3.654181 -0.274778
H 4.141411 1.812079 -2.944329
H -3.379755 -0.067240 2.723591
H -4.811315 -0.522867 -1.337747
H 7.903111 0.878067 0.435430
H 7.340561 2.230726 1.470777
H 7.347377 2.414031 -0.294252
H -3.786453 2.398693 2.612886
H -5.217106 1.982244 -1.468191
H -4.537125 4.203834 1.233606


