%chk=000129005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129005

0 1
 S   -4.163200      -3.005000      -1.330600    
 O   -2.381600      -1.214700       1.350400    
 O   0.1010000       1.415700      -1.965100    
 O    3.983300       1.630400       1.088000    
 N   -1.635300     -0.2009000     -0.5958000    
 N    1.513500       1.333400     -0.1233000    
 N    4.681900       2.808000     -0.7561000    
 C   -4.030600     -0.3856000     -0.2308000    
 C   -4.300600       1.122800     -0.4158000    
 C   -4.200800       1.961100      0.8788000    
 C  -0.2245000     -0.3327000     -0.3182000    
 C   -2.610700     -0.6609000      0.2770000    
 C   -4.313800      -1.198400      -1.511500    
 C   0.3624000      -1.623000     -0.9020000    
 C   -2.786500       1.975800       1.461600    
 C   -5.177400       1.410700       1.922800    
 C   0.4690000      0.8845000     -0.9195000    
 C    1.651600      -2.032700     -0.2329000    
 C    2.305600       2.500800     -0.4373000    
 C    2.856400      -1.568300     -0.7369000    
 C    1.608200      -2.865700      0.8742000    
 C    1.704100       3.752600      0.1818000    
 C    3.720000       2.267100      7.0699997E-02
 C    4.048100      -1.946700     -0.1185000    
 C    2.799900      -3.244000       1.492700    
 C    4.019800      -2.784500      0.9962000    
 H   -4.716200     -0.7711000      0.5335000    
 H   -3.622700       1.547500      -1.166100    
 H   -5.312500       1.246100     -0.8245000    
 H   -4.488100       2.990400      0.6308000    
 H  -0.1044000     -0.3191000      0.7725000    
 H   -3.647200     -0.8932000      -2.324600    
 H   -5.337000     -0.9973000      -1.847600    
 H   -1.908300      0.2215000      -1.477800    
 H   0.5229000      -1.524000      -1.984200    
 H  -0.3590000      -2.445000     -0.7962000    
 H   -2.029800       2.143400      0.6904000    
 H   -2.541200       1.095700       2.056200    
 H   -2.704900       2.820400       2.157900    
 H   -5.250400       2.107100       2.766100    
 H   -4.860700      0.4472000       2.333800    
 H   -6.182700       1.297900       1.503500    
 H    1.721800      0.8408000      0.7408000    
 H    2.323800       2.615000      -1.527700    
 H   -5.101100      -3.142600     -0.3820000    
 H    2.891700     -0.9206000      -1.608100    
 H   0.6629000      -3.226200       1.269800    
 H    2.305300       4.635900     -5.7999998E-02
 H   0.6853000       3.921500     -0.1829000    
 H    1.656700       3.670800       1.273800    
 H    4.997700      -1.588900     -0.5052000    
 H    2.778000      -3.895600       2.361300    
 H    4.947600      -3.078600       1.478000    
 H    5.668300       2.711200     -0.5393000    
 H    4.450200       3.329100      -1.595700    


%chk=000129005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129005

0 1
S -3.484666 -2.453401 -2.367709
O -2.191134 -1.500356 0.913907
O -0.132049 2.274875 -1.292133
O 4.533891 1.026207 -0.926396
N -1.552672 0.184853 -0.543086
N 1.902904 1.434344 -0.566347
N 4.907130 3.085068 -1.928526
C -3.956609 -0.379833 -0.389278
C -4.485303 1.066527 -0.142085
C -4.670192 1.513264 1.339736
C -0.130187 0.053501 -0.224884
C -2.500554 -0.609300 0.054331
C -4.157988 -0.746187 -1.880132
C 0.502811 -1.258790 -0.830485
C -3.335569 1.726932 2.096488
C -5.602873 0.561222 2.127752
C 0.546868 1.345133 -0.733673
C 1.538920 -1.892624 0.088614
C 2.646135 2.606229 -1.046669
C 2.922093 -1.894071 -0.222628
C 1.107149 -2.493558 1.303710
C 2.562059 3.786762 -0.040351
C 4.104919 2.161297 -1.293443
C 3.858801 -2.483398 0.659673
C 2.041214 -3.086012 2.180014
C 3.421646 -3.082398 1.861948
H -4.548625 -1.087802 0.219336
H -3.825156 1.797005 -0.655042
H -5.473899 1.141687 -0.642045
H -5.176034 2.501356 1.282951
H -0.020071 -0.008400 0.876675
H -3.620012 -0.051288 -2.548379
H -5.230702 -0.714681 -2.135933
H -1.792501 0.992652 -1.131558
H 0.930086 -1.042417 -1.826809
H -0.335954 -1.961006 -0.977072
H -2.653774 2.390387 1.531823
H -2.814036 0.770192 2.276932
H -3.525937 2.193057 3.081477
H -5.846058 0.989950 3.117507
H -5.120278 -0.417948 2.302863
H -6.555144 0.387357 1.590907
H 2.462387 0.649811 -0.203201
H 2.186941 2.931147 -2.001254
H -4.106583 -3.149888 -1.343752
H 3.276834 -1.435326 -1.153562
H 0.035177 -2.494427 1.539275
H 3.066372 4.690293 -0.428921
H 1.501315 4.033254 0.130791
H 3.027772 3.512095 0.921616
H 4.924444 -2.466583 0.405902
H 1.694714 -3.553896 3.108870
H 4.146249 -3.541588 2.544241
H 5.883868 2.846361 -2.099370
H 4.557664 3.991461 -2.234215


