%chk=000005679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005679

0 1
 S   0.4891000     -0.6798000      -1.342900    
 O    1.148000      -1.971400      -1.446700    
 O   0.1218000      4.2199999E-02  -2.549700    
 N    1.427900      0.3430000     -0.3505000    
 N    6.676600      0.4443000     -0.1036000    
 C    3.139700      0.5364000       1.405300    
 C    1.808600     -9.0000004E-02   1.001600    
 C  -0.9721000     -0.8794000     -0.3871000    
 C    4.278900      0.1607000      0.4493000    
 C   -1.893400      0.1601000     -0.1794000    
 C   -3.045900     -8.3200000E-02  0.6051000    
 C    5.606800      0.8311000      0.8082000    
 C   -1.183800      -2.140600      0.1708000    
 C   -1.696400       1.435600     -0.7332000    
 C   -3.243200      -1.358900       1.158700    
 C   -2.317400      -2.379900      0.9421000    
 C   -3.967400      0.9560000      0.8128000    
 C   -2.622100       2.456500     -0.5162000    
 C   -3.755600       2.217200      0.2553000    
 H    3.393900      0.2177000       2.423000    
 H    3.035200       1.628500       1.426800    
 H    1.891500      -1.180800       1.047400    
 H    1.031000      0.2246000       1.705400    
 H    4.404100     -0.9297000      0.4566000    
 H    4.013500      0.4417000     -0.5773000    
 H    1.373400       1.358000     -0.5003000    
 H    5.495300       1.920400      0.7815000    
 H    5.897900      0.5608000       1.829100    
 H  -0.4866000      -2.960900      3.0800000E-02
 H  -0.8269000       1.717600      -1.312500    
 H   -4.121900      -1.568400       1.765200    
 H   -2.481700      -3.361400       1.377200    
 H   -4.860000      0.7915000       1.412800    
 H   -2.454700       3.441500     -0.9425000    
 H   -4.474800       3.013000      0.4254000    
 H    6.413900      0.6851000      -1.058800    
 H    6.784100     -0.5694000     -9.2000000E-02


%chk=000005679-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005679

0 1
S 0.430175 -0.681107 -1.400284
O 1.100659 -2.159960 -1.451347
O 0.163635 0.196711 -2.741492
N 1.592162 0.333467 -0.396658
N 7.006215 0.579183 0.028718
C 3.322816 0.417390 1.361624
C 2.001644 -0.246345 0.905323
C -1.186691 -0.868822 -0.381175
C 4.520939 0.098837 0.441489
C -2.104247 0.221154 -0.225904
C -3.239180 -0.023916 0.652538
C 5.816758 0.841982 0.865171
C -1.344147 -2.114567 0.213746
C -1.982264 1.501265 -0.864822
C -3.396051 -1.308057 1.272602
C -2.479332 -2.336910 1.053526
C -4.185408 1.030273 0.873199
C -2.925918 2.502357 -0.621877
C -4.030813 2.272411 0.256450
H 3.532156 0.067944 2.393715
H 3.180783 1.516473 1.428525
H 2.171050 -1.326188 0.738821
H 1.221024 -0.131539 1.688958
H 4.709934 -0.994908 0.448265
H 4.260004 0.366986 -0.600101
H 1.224513 1.299726 -0.363539
H 5.630527 1.934422 0.857944
H 6.071236 0.578707 1.911201
H -0.605906 -2.901578 0.025883
H -1.176786 1.665615 -1.588442
H -4.261719 -1.471777 1.924988
H -2.616114 -3.316092 1.522758
H -5.038721 0.840863 1.534946
H -2.828086 3.471444 -1.122805
H -4.759973 3.070435 0.431589
H 6.904247 0.897822 -0.940993
H 7.328179 -0.394002 0.065163


