%chk=000031772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031772

0 1
 S    4.419100     -0.7426000      5.0500002E-02
 O    5.386700      5.9599999E-02  0.7735000    
 O    4.824100      -1.945900     -0.6495000    
 O   -2.856300      0.3545000      0.4859000    
 O   -6.149500     -0.5566000     -0.2472000    
 O   -5.306400      0.7828000       1.280200    
 N    1.716700      0.7774000      0.4820000    
 N   0.6672000      0.1785000     -0.1242000    
 N   -5.150800     -8.5000005E-03  0.3045000    
 C    2.739400       1.378100     -0.3952000    
 C    3.576400      0.3143000      -1.112500    
 C    3.105700      -1.175000       1.172900    
 C    2.317800      5.4200001E-02   1.611500    
 C    2.105400       2.336100      -1.408600    
 C  -0.4782000      0.4952000      0.3881000    
 C   -1.726500     -4.5000002E-02 -0.1245000    
 C   -1.959900     -0.9087000      -1.142700    
 C   -3.365700      -1.068600      -1.177300    
 C   -3.865100     -0.2796000     -0.1671000    
 H    3.404300       1.988800      0.2303000    
 H    2.957000     -0.3279000      -1.748300    
 H    4.348900      0.7736000      -1.738200    
 H    3.565800      -1.669400       2.033900    
 H    2.462300      -1.899200      0.6624000    
 H    1.532600     -0.2547000       2.312200    
 H    2.966500      0.7360000       2.175500    
 H    1.462700       1.810300      -2.123100    
 H    1.502700       3.098500     -0.9026000    
 H    2.882000       2.855100      -1.980900    
 H  -0.5609000       1.196000       1.240600    
 H   -1.231900      -1.376200      -1.790200    
 H   -3.937700      -1.684200      -1.857400    


%chk=000031772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031772

0 1
S 4.259074 -0.950371 0.385286
O 5.347092 0.084007 1.051559
O 4.635177 -2.487808 -0.003444
O -2.654544 -0.524998 0.697867
O -6.035281 -1.227884 -0.273324
O -4.931520 -1.604959 1.714527
N 1.821871 1.057156 0.319744
N 0.598096 0.789469 -0.221797
N -4.983487 -1.178898 0.492851
C 2.911112 1.320343 -0.670143
C 3.519422 -0.015050 -1.155304
C 2.718494 -0.915916 1.580469
C 2.259897 0.552963 1.647234
C 2.433429 2.170269 -1.859496
C -0.384618 0.259246 0.497407
C -1.674067 0.079468 -0.120559
C -2.227788 0.362784 -1.381988
C -3.587234 -0.073904 -1.358498
C -3.811744 -0.603889 -0.088425
H 3.696883 1.873755 -0.120849
H 2.778590 -0.709290 -1.582960
H 4.389229 0.115285 -1.818365
H 3.115744 -1.297086 2.534051
H 1.990535 -1.612305 1.136621
H 1.447998 0.669446 2.386491
H 3.103342 1.179365 1.988627
H 1.682648 1.635990 -2.462151
H 1.977055 3.104986 -1.492426
H 3.294985 2.428085 -2.500106
H -0.312466 -0.050873 1.551429
H -1.698056 0.833780 -2.205842
H -4.325469 -0.016265 -2.153984


