%chk=000087078.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087078

0 1
 S    3.312700      -2.462200      0.7704000    
 O   -1.811300       1.969100      0.5246000    
 O   -1.973100      -3.312100     -0.2667000    
 O    5.608200      -3.661700     -0.8983000    
 N   0.7591000       1.964600      0.9717000    
 N   0.5601000      -3.589700      0.1278000    
 C    1.965400       2.709400      0.6637000    
 C    2.309800       2.561400     -0.8217000    
 C    1.790800       4.179600       1.056700    
 C    1.339100       3.313700      -1.732000    
 C   0.8218000       4.926300      0.1398000    
 C    1.208600       4.778900      -1.328400    
 C   0.6406000      0.5735000      0.7490000    
 C  -0.5753000     -5.1899999E-02  0.4475000    
 C  -0.6159000      -1.432200      0.2399000    
 C    1.809400     -0.1827000      0.8414000    
 C   -1.807600      0.7568000      0.3510000    
 C   0.5594000      -2.187300      0.3336000    
 C    1.768900      -1.560000      0.6340000    
 C   -1.891900      -2.104800     -7.8500003E-02
 C   -3.083800      8.4200002E-02  3.3000000E-02
 C   -3.124400      -1.296200     -0.1741000    
 C   -4.259000      0.8392000     -6.0500000E-02
 C   -4.340400      -1.921500     -0.4750000    
 C   -5.468600      0.2120000     -0.3604000    
 C   -5.509200      -1.165300     -0.5675000    
 C    4.307600      -1.666600     -0.5194000    
 C    5.698900      -2.274400     -0.6016000    
 H    2.796700       2.333500       1.270800    
 H    2.364400       1.517800      -1.146000    
 H    3.315200       2.974000     -0.9816000    
 H    2.768100       4.677700       1.013000    
 H    1.441800       4.258800       2.093500    
 H   0.3529000       2.834900      -1.700800    
 H    1.687700       3.250900      -2.769200    
 H   0.8123000       5.988700      0.4093000    
 H  -0.1999000       4.558000      0.2885000    
 H    2.161200       5.292600      -1.507500    
 H   0.4585000       5.269800      -1.958600    
 H  -0.1053000       2.483500       1.067600    
 H    2.756000      0.2738000       1.112800    
 H   -4.256600       1.914600      9.6000001E-02
 H   -4.401700      -2.993600     -0.6412000    
 H    1.429800      -4.101300      0.2042000    
 H  -0.2902000      -4.088600     -8.9100003E-02
 H   -6.380100      0.7984000     -0.4328000    
 H   -6.452200      -1.651100     -0.8010000    
 H    3.788900      -1.804400      -1.474200    
 H    4.397200     -0.5939000     -0.3250000    
 H    6.256500      -2.147700      0.3325000    
 H    6.271700      -1.796300      -1.402200    
 H    5.086900      -4.077100     -0.1902000    


%chk=000087078-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087078

0 1
S 3.940711 -1.763680 0.516477
O -1.830957 2.039231 0.235065
O -1.354140 -3.469843 -0.182058
O 3.775669 -4.845363 0.212943
N 0.707363 2.289941 0.532395
N 1.198353 -3.322056 0.094521
C 1.822313 3.239770 0.705656
C 2.532509 3.560786 -0.644748
C 1.278580 4.542239 1.349893
C 1.618818 4.356947 -1.605728
C 0.370417 5.349924 0.389666
C 1.096862 5.654624 -0.942376
C 0.813394 0.927727 0.394770
C -0.362023 0.107291 0.207721
C -0.227368 -1.330765 0.094369
C 2.097870 0.280018 0.427701
C -1.677213 0.746663 0.134899
C 1.072525 -1.961224 0.172261
C 2.230525 -1.099034 0.326791
C -1.418678 -2.174524 -0.083853
C -2.873210 -0.104464 -0.058410
C -2.747425 -1.518732 -0.164116
C -4.157615 0.495629 -0.135848
C -3.908570 -2.315309 -0.345610
C -5.302363 -0.301038 -0.316704
C -5.177268 -1.712975 -0.422004
C 4.179733 -2.759911 -1.104280
C 4.659044 -4.182996 -0.762972
H 2.562594 2.794323 1.402252
H 2.868175 2.622341 -1.126413
H 3.441825 4.155676 -0.419605
H 2.148105 5.167601 1.634994
H 0.736818 4.293388 2.282257
H 0.758857 3.724085 -1.903824
H 2.174234 4.597359 -2.532718
H 0.062720 6.291652 0.882994
H -0.562799 4.789037 0.181047
H 1.952828 6.334010 -0.745135
H 0.416660 6.188048 -1.633694
H -0.283984 2.622507 0.469109
H 3.004031 0.882038 0.527810
H -4.220664 1.584515 -0.049927
H -3.779351 -3.399105 -0.421386
H 2.101955 -3.811197 0.156380
H 0.299469 -3.833295 -0.027725
H -6.291800 0.165648 -0.376071
H -6.070368 -2.331797 -0.562213
H 3.208578 -2.769438 -1.623137
H 4.918468 -2.220329 -1.719373
H 5.701873 -4.166792 -0.386804
H 4.623374 -4.817166 -1.664735
H 3.930246 -4.418882 1.098293


