%chk=000055690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055690

0 1
 S   -5.144900     -0.1489000      0.2700000    
 O  -0.6133000       2.274400      0.2022000    
 O   -5.559800      -1.507600      0.7620000    
 N    1.579900      -1.149200     -0.4728000    
 N    1.677000      0.7591000      0.6643000    
 N    5.264600     -0.9886000     -0.4380000    
 C  -0.5619000     -0.1281000      0.1688000    
 C   0.8808000     -0.1448000      0.1377000    
 C    2.913700     -0.8736000     -0.3299000    
 C   -1.265500       1.076700      0.2014000    
 C    2.950500      0.3211000      0.3823000    
 C   -1.255900      -1.339000      0.1673000    
 C   -3.352600     -0.1402000      0.2304000    
 C   -2.660100       1.070600      0.2324000    
 C   -2.650400      -1.345100      0.1980000    
 C    4.190900      0.8848000      0.6979000    
 C    4.061200      -1.531700     -0.7415000    
 C    5.301700      0.1756000      0.2561000    
 C   -5.422300     -0.1249000      -1.521100    
 C  -0.3338000       2.859300      -1.067500    
 H    1.195300      -1.947800     -0.9603000    
 H  -0.7424000      -2.297200      0.1566000    
 H   -3.200700       2.014000      0.2581000    
 H   -3.166600      -2.301300      0.1939000    
 H    4.286300       1.811900       1.249300    
 H    4.057000      -2.460300      -1.295700    
 H    6.301500      0.5475000      0.4611000    
 H   -5.031000      0.8055000      -1.939800    
 H   -6.498100     -0.1778000      -1.704600    
 H   -4.933500     -0.9831000      -1.988700    
 H   0.2440000       3.773000     -0.9034000    
 H   -1.265700       3.122300      -1.578000    
 H   0.2560000       2.181200      -1.692400    


%chk=000055690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055690

0 1
S -5.312148 -0.423863 0.500587
O -1.074360 2.514613 -0.348515
O -5.472208 -2.078142 0.696610
N 1.554436 -1.014554 -0.701908
N 1.676718 0.858820 0.601166
N 5.309822 -1.049047 -0.403269
C -0.630131 0.025272 -0.050395
C 0.844504 0.017226 -0.055184
C 2.916836 -0.821932 -0.448912
C -1.455761 1.196805 -0.119377
C 2.973406 0.359994 0.367590
C -1.272951 -1.240605 0.127535
C -3.431183 -0.194861 0.223209
C -2.864457 1.068270 0.051089
C -2.663645 -1.372369 0.263205
C 4.236328 0.822902 0.801157
C 4.095983 -1.501988 -0.820756
C 5.361397 0.079983 0.385316
C -5.821982 -0.135890 -1.339695
C 0.185569 2.873759 -1.024168
H 1.139162 -1.736029 -1.289072
H -0.646151 -2.133986 0.231426
H -3.458217 1.987966 0.019049
H -3.166662 -2.332649 0.430311
H 4.337421 1.710769 1.430881
H 4.093369 -2.403499 -1.444022
H 6.368278 0.385974 0.688129
H -5.568379 0.895018 -1.629166
H -6.906121 -0.315819 -1.379272
H -5.269938 -0.880615 -1.930311
H 0.025853 3.907265 -1.366711
H 0.369279 2.212322 -1.892379
H 1.027834 2.806690 -0.318049


