%chk=000065802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065802

0 1
 S  -0.8093000       2.013500     -0.1305000    
 O    1.246300      0.3638000      -1.754500    
 O  -0.7409000       2.410800      -1.523400    
 O   -1.183600       2.972500      0.8907000    
 N    2.608600     -7.6499999E-02  4.5200001E-02
 N    2.866700      0.1179000       1.371700    
 N   0.6573000       1.258800      0.3151000    
 C    3.618400     -0.8999000     -0.6214000    
 C    4.721400      -1.003800      0.4179000    
 C    3.062400      -2.269200      -1.001800    
 C    4.021000     -0.4149000       1.598800    
 C    1.501400      0.4946000     -0.5591000    
 C   -1.938400      0.6602000      1.4000000E-03
 C   -2.575400      0.4268000       1.208300    
 C   -2.165600     -0.1420000      -1.103900    
 C   -3.707000      -1.459700      0.2097000    
 C   -3.466400     -0.6413000       1.313200    
 C   -3.056800      -1.210100     -0.9990000    
 C   -4.660100      -2.601400      0.3214000    
 H    3.959900     -0.3832000      -1.525200    
 H    5.054800      -2.022100      0.6316000    
 H    5.585700     -0.3790000      0.1752000    
 H    3.842900      -2.892000      -1.450900    
 H    2.663900      -2.796100     -0.1275000    
 H    2.247400      -2.175900      -1.726800    
 H    4.500700     -0.4159000       2.587700    
 H   0.9643000       1.369500       1.289900    
 H   -2.396200       1.046900       2.081100    
 H   -1.666400      3.3700000E-02  -2.051700    
 H   -3.967100     -0.8257000       2.260000    
 H   -3.236800      -1.840100      -1.866000    
 H   -5.670600      -2.274400      5.7100002E-02
 H   -4.676700      -3.004400       1.339800    
 H   -4.371700      -3.423100     -0.3431000    


%chk=000065802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065802

0 1
S -0.778680 1.913047 0.213766
O 0.908988 -0.267390 -1.337960
O -0.681573 2.650299 -1.220837
O -1.021576 2.761709 1.578824
N 2.761966 -0.080578 0.067051
N 3.353769 0.519534 1.198906
N 0.806446 1.069350 0.605460
C 3.680543 -1.014911 -0.671772
C 5.028461 -0.769561 0.089832
C 3.183162 -2.471717 -0.608269
C 4.612151 0.140832 1.237350
C 1.445855 0.218632 -0.298408
C -2.042427 0.519389 0.132575
C -2.802027 0.284110 1.289057
C -2.207354 -0.179399 -1.072678
C -4.002003 -1.467521 0.032860
C -3.787036 -0.725575 1.224781
C -3.201384 -1.181550 -1.105601
C -5.087929 -2.525724 -0.032116
H 3.733902 -0.687064 -1.724250
H 5.468048 -1.716532 0.452144
H 5.789488 -0.276382 -0.543503
H 3.887821 -3.132520 -1.145395
H 3.108290 -2.816997 0.438704
H 2.192176 -2.556189 -1.083405
H 5.258658 0.497538 2.040957
H 1.328891 1.479621 1.391865
H -2.635915 0.879048 2.192871
H -1.572485 0.039040 -1.935239
H -4.397690 -0.935437 2.110329
H -3.352695 -1.751008 -2.029528
H -6.043724 -2.085341 -0.376593
H -5.273482 -2.979231 0.956912
H -4.826536 -3.333221 -0.737689


