%chk=000087725.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087725

0 1
 S  -0.2017000      -1.211600      -1.263100    
 O  -0.6149000      -2.605200      -1.389600    
 O   0.2730000     -0.5169000      -2.454800    
 O    3.635100       1.205500     -0.4873000    
 O   0.3404000      -2.972300       1.214000    
 N   0.9945000      -1.070300     -2.6000000E-03
 N    3.065400     -4.7499999E-02 -0.6779000    
 N   -4.751500       1.884700      0.9887000    
 C   -1.537500     -0.3026000     -0.6017000    
 C    1.902500      2.4900001E-02 -4.8300002E-02
 C   -1.644000       1.065000     -0.8555000    
 C   -2.498300     -0.9435000      0.1805000    
 C    1.107200      -2.018100       1.091300    
 C    1.663800       1.258900      0.5531000    
 C   -2.711000       1.791500     -0.3269000    
 C   -3.565400     -0.2170000      0.7089000    
 C   -3.671700       1.150500      0.4551000    
 C    2.791200       1.974500      0.2471000    
 C    2.184100      -1.791200       2.124800    
 C    3.238700       3.340600      0.5443000    
 H  -0.9062000       1.586000      -1.459000    
 H   -2.432300      -2.006300      0.3957000    
 H   0.8122000       1.592000       1.127700    
 H   -2.782300       2.856700     -0.5310000    
 H   -4.307100     -0.7276000       1.317900    
 H    3.170700      -1.792000       1.655000    
 H    2.158700      -2.603900       2.857400    
 H    2.010500     -0.8508000       2.653400    
 H    4.173800       3.324200       1.112500    
 H    3.407800       3.900000     -0.3809000    
 H    2.492600       3.881000       1.135100    
 H   -4.828300       2.876500      0.8066000    
 H   -5.447400       1.420600       1.557200    


%chk=000087725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087725

0 1
S -0.211874 -0.147892 -1.109948
O -0.134261 -1.485427 -2.016882
O 0.262056 1.277912 -1.735563
O 4.522690 0.577069 0.177937
O -0.264584 -2.092766 1.109342
N 1.076320 -0.308820 0.485965
N 3.477898 -0.418065 0.366574
N -5.813372 0.701015 0.986886
C -1.912706 0.093683 -0.400482
C 2.316384 0.311644 0.320157
C -2.361295 1.415867 -0.219645
C -2.711688 -1.034113 -0.133635
C 0.776724 -1.405188 1.312058
C 2.558640 1.712355 0.071013
C -3.670359 1.617290 0.247124
C -4.021401 -0.823076 0.321710
C -4.519795 0.502082 0.526485
C 3.929864 1.843081 -0.020103
C 1.714665 -1.666730 2.485867
C 4.864756 2.979607 -0.271696
H -1.710045 2.259806 -0.466583
H -2.309989 -2.040387 -0.271421
H 1.804940 2.483433 -0.045255
H -4.044615 2.637468 0.388810
H -4.664318 -1.684923 0.532637
H 2.594625 -2.232762 2.136003
H 1.164269 -2.264209 3.228441
H 2.082601 -0.731977 2.940045
H 5.586162 3.094981 0.556987
H 5.443925 2.816413 -1.198350
H 4.298341 3.918213 -0.377852
H -6.178299 1.637737 1.135596
H -6.423657 -0.087022 1.185473


