%chk=000091765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091765

0 1
 S    4.619800      0.9350000       1.593100    
 O  -0.7301000      -2.180800     -0.8944000    
 O  -0.5186000       2.464300      0.1247000    
 O   -4.099700     -0.9503000      0.4881000    
 N   -2.770900      -1.043800      0.1213000    
 C    3.586200      5.5900000E-02 -0.8693000    
 C    2.115600      2.8600000E-02 -0.4387000    
 C    4.262800      -1.310900     -0.6841000    
 C    1.353600      -1.055300      -1.202600    
 C    1.465500       1.394500     -0.6639000    
 C    4.370100       1.185000     -0.1902000    
 C    4.494600      -1.710600      0.7727000    
 C    5.362900     -0.7191000       1.535900    
 C  -9.6199997E-02  -1.133500     -0.7772000    
 C   2.0000000E-02   1.413200     -0.2180000    
 C  -0.7269000      0.1214000     -0.2706000    
 C   -1.997900      8.6599998E-02  0.1519000    
 C   -2.667800       1.341600      0.6718000    
 C   -3.328400       2.150600     -0.4481000    
 C   -3.972800       3.419000      8.9800000E-02
 C   -4.639500      -2.260300      0.3596000    
 C   -6.102300      -2.231100      0.7481000    
 H    3.609000      0.2697000      -1.948000    
 H    2.038800     -0.2035000      0.6320000    
 H    5.247500      -1.259200      -1.171000    
 H    3.747000      -2.114200      -1.216000    
 H    1.384900     -0.8859000      -2.284600    
 H    1.760300      -2.047500     -0.9893000    
 H    1.503100       1.691500      -1.717900    
 H    1.951700       2.167300     -6.2300000E-02
 H    3.944700       2.175600     -0.3632000    
 H    5.371000       1.232400     -0.6377000    
 H    4.994200      -2.687400      0.7872000    
 H    3.536800      -1.854400       1.286500    
 H    5.501900      -1.065800       2.564900    
 H    6.356400     -0.6439000       1.081100    
 H   -2.061600       1.931900       1.364800    
 H   -3.471200       1.052600       1.365900    
 H   -2.607500       2.422300      -1.226900    
 H   -4.101000       1.545300     -0.9385000    
 H   -2.421600      -1.915900     -0.2546000    
 H   -4.449900       3.975700     -0.7228000    
 H   -4.738900       3.184600      0.8358000    
 H   -3.226300       4.070400      0.5553000    
 H   -4.548300      -2.604300     -0.6780000    
 H   -4.102200      -2.953800       1.018000    
 H   -6.657000      -1.535500      0.1096000    
 H   -6.220500      -1.879800       1.778500    
 H   -6.550600      -3.224800      0.6603000    


%chk=000091765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091765

0 1
S 4.758544 0.760305 1.704067
O -0.795611 -2.051187 -0.728498
O -0.406380 2.724546 -0.120748
O -4.113422 -0.955556 0.477371
N -2.734889 -0.871020 0.059296
C 3.703945 0.033301 -0.872274
C 2.217928 0.087392 -0.400535
C 4.355969 -1.376638 -0.754691
C 1.354954 -1.006672 -1.066426
C 1.565453 1.453779 -0.703908
C 4.600028 1.074984 -0.158693
C 4.498305 -1.899894 0.697022
C 5.412463 -1.013209 1.561495
C -0.108602 -0.919215 -0.679044
C 0.077080 1.561211 -0.331558
C -0.715877 0.320162 -0.277608
C -2.118054 0.316810 0.149939
C -2.879726 1.514227 0.666891
C -3.610660 2.279160 -0.477732
C -4.402409 3.481419 0.075126
C -4.560269 -2.373960 0.381389
C -6.022807 -2.383900 0.817443
H 3.710518 0.303915 -1.953550
H 2.196537 -0.063501 0.697422
H 5.366538 -1.326055 -1.211767
H 3.786118 -2.108825 -1.355843
H 1.432592 -0.922323 -2.172372
H 1.686917 -2.026189 -0.805201
H 1.651302 1.672951 -1.790953
H 2.064232 2.284549 -0.176023
H 4.210431 2.102257 -0.242756
H 5.620224 1.056652 -0.583319
H 4.924228 -2.923794 0.670009
H 3.504600 -1.979346 1.177344
H 5.478432 -1.378774 2.600109
H 6.432595 -0.963202 1.137794
H -2.176188 2.210923 1.146132
H -3.630074 1.167341 1.400228
H -2.853727 2.631943 -1.201026
H -4.291942 1.585293 -1.006736
H -2.039817 -1.714977 -0.327288
H -4.921912 4.021501 -0.737465
H -5.164488 3.156260 0.808761
H -3.725973 4.196184 0.578794
H -4.440176 -2.717307 -0.664844
H -3.927072 -2.995748 1.044136
H -6.634216 -1.743325 0.159528
H -6.127865 -2.024533 1.855146
H -6.417077 -3.414515 0.764415


