%chk=000125413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125413

0 1
 S   -4.254600      -2.512500     -0.1150000    
 N    2.993000     -0.3996000       1.098700    
 N    3.042400     -0.2203000      -1.169500    
 N   -3.738000      0.2097000      2.4599999E-02
 C    2.634300      0.2750000     -2.8700000E-02
 C    1.791700       1.506200      4.2599998E-02
 C    3.760200      -1.558300      0.7546000    
 C    3.834800      -1.425400     -0.7739000    
 C   0.3297000       1.162400      3.7999999E-02
 C  -0.3496000       1.068500      -1.170500    
 C  -0.3282000      0.9427000       1.242100    
 C   -1.707600      0.7501000      -1.175000    
 C   -1.686400      0.6243000       1.237700    
 C   -2.376000      0.5278000      2.8999999E-02
 C   -3.945700     -0.9506000     -3.4699999E-02
 H    2.032700       2.158700     -0.8055000    
 H    2.048700       2.069500      0.9478000    
 H    3.246400      -2.477400       1.051100    
 H    4.754300      -1.535000       1.210100    
 H    4.871200      -1.301600      -1.105800    
 H    3.421400      -2.312700      -1.264800    
 H    2.738500     -0.1550000       2.047800    
 H   0.1612000       1.238700      -2.114200    
 H   0.1991000       1.014800       2.189300    
 H   -2.235200      0.6799000      -2.122900    
 H   -2.197100      0.4555000       2.182200    


%chk=000125413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125413

0 1
S -6.318648 -1.217133 -0.024244
N 3.023591 -0.534525 0.999388
N 3.471889 0.209733 -1.129245
N -3.638747 -0.292160 0.042003
C 2.799276 0.401752 -0.010974
C 1.817847 1.538437 0.190281
C 3.949947 -1.583735 0.519877
C 4.300895 -1.030968 -0.917292
C 0.366673 1.063339 0.161534
C -0.172335 0.498120 -1.023777
C -0.467276 1.165361 1.302273
C -1.502584 0.044941 -1.071853
C -1.803118 0.716153 1.274017
C -2.327898 0.149560 0.082233
C -4.780989 -0.678892 0.007740
H 2.005121 2.256021 -0.626236
H 2.029711 2.053438 1.145771
H 3.456006 -2.573688 0.477345
H 4.842232 -1.666762 1.167529
H 5.370933 -0.769731 -1.004573
H 4.070963 -1.765491 -1.709064
H 2.515652 -0.578698 1.879189
H 0.466584 0.406086 -1.909260
H -0.074442 1.612240 2.223459
H -1.915820 -0.388561 -1.988086
H -2.444267 0.800564 2.157065


