%chk=000078537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078537

0 1
 S  -0.9356000      -1.530000      0.2058000    
 O    3.348100     -0.2977000     -0.2477000    
 O   -3.543900     -0.4599000     -7.2400004E-02
 O    2.722000       1.704700      0.6767000    
 O   -2.973800       1.754500     -0.2378000    
 N    1.620700      -2.280300      0.4509000    
 C  -0.1070000      0.8961000      3.8800001E-02
 C    1.058000      9.0300001E-02  0.1933000    
 C   -1.259800      0.1422000      2.8999999E-02
 C   0.7510000      -1.248600      0.2958000    
 C  -8.1900001E-02   2.374600     -9.5899999E-02
 C    2.411700      0.5871000      0.2406000    
 C   -2.616800      0.5668000     -0.1036000    
 C    4.714000      0.1324000     -0.2304000    
 C   -4.925100     -0.1039000     -0.2001000    
 C    5.584300     -0.9667000     -0.8015000    
 C   -5.765800      -1.361500     -0.1416000    
 H   0.8700000       2.743300     -0.4876000    
 H  -0.8357000       2.731400     -0.8040000    
 H  -0.2626000       2.849300      0.8738000    
 H    2.625000      -2.146800      0.5117000    
 H    1.296400      -3.239800      0.5166000    
 H    4.817200       1.039800     -0.8353000    
 H    5.014800      0.3457000      0.8012000    
 H   -5.204000      0.5681000      0.6188000    
 H   -5.081900      0.4040000      -1.157900    
 H    6.637200     -0.6714000     -0.8026000    
 H    5.475200      -1.886700     -0.2176000    
 H    5.282000      -1.203800      -1.826900    
 H   -6.829400      -1.125800     -0.2365000    
 H   -5.483300      -2.051300     -0.9437000    
 H   -5.603300      -1.889900      0.8037000    


%chk=000078537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078537

0 1
S -1.011777 -1.601004 -0.110927
O 3.409599 -0.354321 -0.152936
O -3.593113 -0.439816 -0.055471
O 2.740844 1.879506 -0.110180
O -3.128745 1.853254 -0.023475
N 1.639242 -2.319258 -0.160431
C -0.142945 0.946362 -0.081876
C 1.051398 0.112444 -0.112863
C -1.327212 0.206811 -0.076976
C 0.756947 -1.279094 -0.131667
C -0.105376 2.455281 -0.057849
C 2.407208 0.667596 -0.123624
C -2.712150 0.662744 -0.049691
C 4.819110 0.133152 -0.164458
C -5.045388 -0.107819 -0.028305
C 5.721195 -1.098204 -0.187525
C -5.800785 -1.433310 -0.029267
H 0.439383 2.838933 -0.938621
H -1.122550 2.870261 -0.036547
H 0.464008 2.810502 0.819305
H 2.634915 -2.069029 -0.170553
H 1.328514 -3.287338 -0.176956
H 4.957539 0.773429 -1.053686
H 4.978357 0.755355 0.734003
H -5.249617 0.495065 0.875309
H -5.278711 0.512536 -0.912917
H 6.780019 -0.781814 -0.195047
H 5.559473 -1.727263 0.705413
H 5.540851 -1.707790 -1.090344
H -6.889601 -1.243564 -0.010439
H -5.565468 -2.020095 -0.933711
H -5.537465 -2.037313 0.855913


