%chk=000087588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087588

0 1
 S  -0.9513000       1.903500     -0.2522000    
 O  -0.1108000      -1.817000     -0.3494000    
 N   5.4900002E-02  0.5243000     -0.3854000    
 N    4.340400     -0.2076000     -0.1686000    
 C    2.247900      0.7667000      0.7321000    
 C    1.477100      0.6913000     -0.5845000    
 C    3.764000      0.9092000      0.5702000    
 C  -0.5965000     -0.6981000     -0.2879000    
 C   -2.040900     -0.4781000     -8.7099999E-02
 C   -2.374200      0.8749000     -4.8000000E-02
 C    4.098900      -1.469700      0.5332000    
 C    5.776200     -6.0999999E-03 -0.3708000    
 C   -3.000000      -1.470000      5.2600000E-02
 C   -3.689700       1.270300      0.1340000    
 C   -4.326700      -1.077000      0.2356000    
 C   -4.669200      0.2834000      0.2762000    
 H    1.992700     -8.5400000E-02   1.373200    
 H    1.893900       1.645200       1.288800    
 H    1.659500       1.585400      -1.192600    
 H    1.823600     -0.1697000      -1.167200    
 H    4.222700       1.009700       1.562600    
 H    3.960200       1.845800      3.2699998E-02
 H    4.441400      -1.440400       1.574100    
 H    4.626300      -2.290100      3.1500001E-02
 H    3.042900      -1.755200      0.5127000    
 H    6.324500      4.4000000E-02  0.5770000    
 H    5.960600      0.9205000     -0.9259000    
 H    6.198700     -0.8190000     -0.9719000    
 H   -2.739900      -2.522500      2.2000000E-02
 H   -3.965400       2.319400      0.1669000    
 H   -5.102200      -1.829700      0.3481000    
 H   -5.707200      0.5713000      0.4197000    


%chk=000087588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087588

0 1
S -1.056589 2.075233 -0.424800
O 0.201600 -1.655880 -0.078020
N 0.092892 0.662011 -0.414142
N 4.272819 -0.231901 -0.141957
C 2.253085 0.922842 0.839292
C 1.545600 0.868982 -0.533712
C 3.789216 0.896413 0.690230
C -0.487006 -0.588618 -0.165744
C -1.955669 -0.431103 -0.034864
C -2.421432 0.901401 -0.143843
C 3.926196 -1.562367 0.408230
C 5.715241 -0.110856 -0.433696
C -2.873650 -1.481649 0.189071
C -3.790495 1.220143 -0.039867
C -4.246448 -1.182736 0.296654
C -4.698256 0.160091 0.182107
H 1.910974 0.062533 1.441927
H 1.962613 1.839271 1.388329
H 1.730026 1.790518 -1.115262
H 1.955575 0.023891 -1.114300
H 4.245291 0.879379 1.716151
H 4.128950 1.833971 0.205588
H 4.339858 -1.728840 1.435847
H 4.336292 -2.343988 -0.255631
H 2.831659 -1.698781 0.441647
H 6.360956 -0.180835 0.479582
H 5.918786 0.860272 -0.920694
H 6.022122 -0.913298 -1.128089
H -2.490567 -2.504415 0.273129
H -4.148491 2.251097 -0.126997
H -4.970966 -1.985279 0.468855
H -5.767783 0.381799 0.266680


