%chk=000003860.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003860

0 1
 S  -0.7287000       2.450600      -1.186700    
 O   -1.996700      0.4019000       1.713000    
 O   -4.860900      -2.063300      -1.053000    
 O    1.699600      -1.671900     -0.4531000    
 O   -6.550000      -1.460600      0.3170000    
 O    6.623800       1.746900      0.5636000    
 O    7.657100     -0.2763000      0.5286000    
 N   -3.178700     -0.2796000     -0.1633000    
 N   0.3940000     -4.5600001E-02  0.5652000    
 N    5.985800      -1.210400      -1.415400    
 C   -5.043000       1.266400      0.2149000    
 C   -4.497900     -0.1643000      0.4133000    
 C  -0.7615000     -0.2135000     -0.2833000    
 C    4.024600     -0.6451000      0.8860000    
 C    4.293600      0.2437000     -0.3356000    
 C    2.608300     -0.4343000       1.419600    
 C   -2.023400      1.7600000E-02  0.5456000    
 C   -5.237800       1.639100      -1.258000    
 C   -6.337000       1.506700      0.9974000    
 C    5.716000      0.1326000     -0.9040000    
 C    1.544000     -0.8042000      0.4021000    
 C  -0.6874000      0.6621000      -1.536600    
 C   -5.416300      -1.266400     -0.1071000    
 C    6.772700      0.4678000      0.1296000    
 H   -4.297200       1.963600      0.6220000    
 H   -4.390900     -0.3579000       1.488800    
 H  -0.7860000      -1.262900     -0.6061000    
 H    4.734500     -0.4142000       1.688100    
 H    4.166500      -1.699500      0.6219000    
 H   -3.106200     -0.6096000      -1.121100    
 H    3.583700      1.4000000E-02  -1.139300    
 H    4.104200       1.288400     -5.5700000E-02
 H    2.487800      0.6094000       1.732500    
 H    2.449800      -1.063100       2.303200    
 H   -4.301600       1.553100      -1.818500    
 H   -5.581200       2.675200      -1.350400    
 H   -5.982600      0.9966000      -1.738900    
 H   -6.228300       1.196500       2.041700    
 H   -6.589400       2.572900      0.9940000    
 H   -7.186800      0.9723000      0.5625000    
 H   0.3574000      0.6615000       1.294000    
 H    5.831600      0.8379000      -1.735700    
 H   0.2392000      0.4574000      -2.084000    
 H   -1.517500      0.4456000      -2.215900    
 H    5.292300      -1.452900      -2.121900    
 H    6.889000      -1.222300      -1.887800    
 H   0.3811000       2.483700     -0.4345000    
 H   -5.475400      -2.770800      -1.342800    
 H    7.302000       1.987800       1.230200    


%chk=000003860-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003860

0 1
S -0.498491 1.428765 -1.808914
O -1.859555 0.279098 1.561998
O -5.388701 -1.627107 -1.106400
O 1.738491 -2.227294 -0.550258
O -6.804072 -0.790109 0.534774
O 6.130580 1.986014 1.212680
O 7.596276 0.602415 0.064610
N -3.220459 -0.594275 -0.104287
N 0.387348 -0.720978 0.580136
N 5.661571 -0.129743 -1.747028
C -4.619483 1.500363 0.133605
C -4.453002 -0.033280 0.473261
C -0.783987 -0.989339 -0.255756
C 4.021799 -0.749112 0.752687
C 3.960917 0.571254 -0.039914
C 2.675826 -1.102630 1.431846
C -2.000626 -0.373826 0.477521
C -4.896072 1.742532 -1.366108
C -5.682264 2.163926 1.035527
C 5.288242 0.904407 -0.789772
C 1.578969 -1.404014 0.407319
C -0.605418 -0.456664 -1.701786
C -5.667724 -0.832659 0.024533
C 6.456577 1.106539 0.172988
H -3.630877 1.931413 0.383695
H -4.384887 -0.109170 1.575145
H -0.919625 -2.089103 -0.343860
H 4.802871 -0.679775 1.535143
H 4.310469 -1.564597 0.066796
H -3.312338 -1.154201 -0.954660
H 3.163920 0.505914 -0.807974
H 3.714171 1.418565 0.628013
H 2.360371 -0.292891 2.118607
H 2.812752 -2.017149 2.041435
H -4.130780 1.265423 -2.004656
H -4.876046 2.825849 -1.580489
H -5.892046 1.362216 -1.663050
H -5.440298 2.030467 2.106122
H -5.721654 3.249174 0.830488
H -6.688330 1.744035 0.860331
H 0.201347 -0.133785 1.404141
H 5.138293 1.912244 -1.256166
H 0.306343 -0.900949 -2.128304
H -1.464802 -0.725169 -2.339155
H 5.088222 -0.212830 -2.583873
H 6.660219 -0.310491 -1.853940
H 0.541802 1.544490 -0.899469
H -6.211482 -2.108682 -1.389814
H 6.931841 2.117315 1.788333


