%chk=000004294.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004294

0 1
 S  -0.1927000       2.414000     -0.3174000    
 O   0.2027000       3.526100      0.5253000    
 O  -0.4195000       2.611000      -1.736700    
 O    3.947500      -1.754800      0.2076000    
 O  -0.5223000      -1.832800       2.390000    
 O   -1.373900      0.2378000       2.782500    
 N   -1.574500       1.627900      0.3796000    
 N    2.374700      -1.664400      -2.124300    
 C    1.047200       1.160600     -0.1667000    
 C   -1.896900      0.3289000     -0.1255000    
 C    1.217900      0.2522000      -1.196000    
 C    1.822400       1.114600      0.9782000    
 C   -1.725000     -0.8104000      0.6607000    
 C    2.196100     -0.7349000      -1.076400    
 C   -2.388500      0.2114000      -1.425600    
 C    2.800600      0.1275000       1.097900    
 C    2.987500     -0.7972000      7.0400000E-02
 C   -2.044600      -2.067200      0.1467000    
 C   -2.708200      -1.045300      -1.939500    
 C   -2.536200      -2.184500      -1.153300    
 C   -1.214300     -0.7208000       2.022600    
 H   -1.695700       1.754500       1.392400    
 H   0.6102000      0.2945000      -2.095200    
 H    1.685500       1.820100       1.791800    
 H   -2.548100       1.087600      -2.047700    
 H    3.407900      8.9299999E-02   1.998300    
 H   -1.934900      -2.972800      0.7375000    
 H   -3.095400      -1.136400      -2.950100    
 H   -2.788800      -3.162500      -1.552600    
 H    1.793900      -1.615700      -2.950800    
 H    3.080500      -2.384100      -2.042800    
 H    4.391200      -1.639600       1.065400    
 H  -0.1803000      -1.763500       3.306900    


%chk=000004294-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004294

0 1
S -0.015154 2.018576 -0.132652
O 0.206929 3.187097 0.968897
O -0.567631 2.333224 -1.630486
O 5.083227 -1.147389 -0.833107
O -3.655213 -1.398313 3.295058
O -2.238320 0.416040 3.099414
N -1.157896 0.901452 0.754571
N 3.510996 -0.729309 -2.957010
C 1.568525 1.016674 -0.308981
C -1.880162 -0.167107 0.235085
C 1.889390 0.529860 -1.585983
C 2.361525 0.847982 0.834562
C -2.718455 -0.940963 1.125753
C 3.091833 -0.205983 -1.744838
C -1.825026 -0.543859 -1.140796
C 3.559024 0.110650 0.673822
C 3.910567 -0.407167 -0.585427
C -3.443840 -2.056748 0.620053
C -2.552011 -1.651109 -1.604555
C -3.363416 -2.422377 -0.730671
C -2.822681 -0.566721 2.540002
H -1.322433 1.170253 1.748075
H 1.236995 0.744715 -2.438950
H 2.078931 1.281351 1.797138
H -1.248845 0.066229 -1.840788
H 4.216124 -0.051249 1.537120
H -4.068700 -2.619674 1.319067
H -2.496542 -1.912468 -2.667483
H -3.926104 -3.281197 -1.108362
H 2.968795 -0.596020 -3.804662
H 4.390142 -1.238942 -2.995674
H 5.626112 -1.256087 -0.015208
H -3.670685 -1.060321 4.230216


