%chk=000029391.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029391

0 1
 S    4.330900     -0.1567000     -0.4358000    
 S    2.496500      -1.548500       1.420100    
 N   -1.899300     -0.1175000      0.1486000    
 N    1.758800      0.6393000     -9.7599998E-02
 C  -0.5555000     -0.1501000     -0.4141000    
 C   0.3940000      0.6819000      0.4354000    
 C   -2.810600     -0.9470000     -0.6424000    
 C   -2.396900       1.257900      0.2179000    
 C   -2.321700      -2.377800     -0.7324000    
 C   -3.766600       1.320600      0.8616000    
 C    2.043600       1.697000      -1.071100    
 C    2.726700     -0.2992000      0.3099000    
 H  -0.5488000      0.2092000      -1.451900    
 H  -0.1548000      -1.168300     -0.4298000    
 H   0.3911000      0.3184000       1.468700    
 H   0.1324000       1.742500      0.4848000    
 H   -3.793700     -0.9998000     -0.1632000    
 H   -2.956400     -0.5441000      -1.652800    
 H   -1.771900       1.876000      0.8668000    
 H   -2.425100       1.735100     -0.7697000    
 H   -1.484200      -2.492700      -1.427400    
 H   -2.030100      -2.772300      0.2471000    
 H   -3.127200      -3.017000      -1.111900    
 H   -4.559500      0.9661000      0.1958000    
 H   -3.804400      0.7485000       1.795100    
 H   -4.011200       2.360400       1.107800    
 H    1.116000       2.117600      -1.472100    
 H    2.617100       1.308400      -1.916100    
 H    2.611500       2.486400     -0.5699000    
 H    4.894000      -1.194000      0.2008000    


%chk=000029391-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029391

0 1
S 4.334467 -0.107497 -0.772399
S 2.147275 -2.185538 -0.002926
N -1.971579 0.086016 -0.212042
N 1.814093 0.541385 -0.028077
C -0.587347 0.170526 -0.727319
C 0.411591 0.372896 0.441758
C -2.696831 -1.147824 -0.609621
C -2.749474 1.340973 -0.366329
C -2.148969 -2.407498 0.088674
C -3.863966 1.502814 0.686051
C 2.288013 1.916837 -0.301473
C 2.608556 -0.555022 -0.225844
H -0.476345 0.998120 -1.464211
H -0.311684 -0.762354 -1.251820
H 0.366348 -0.508482 1.102255
H 0.135689 1.267170 1.029272
H -3.758466 -1.020323 -0.329946
H -2.675233 -1.293084 -1.719545
H -2.041710 2.185504 -0.256919
H -3.188665 1.430598 -1.393126
H -1.080976 -2.575144 -0.141660
H -2.246749 -2.307037 1.184002
H -2.710401 -3.303237 -0.237156
H -4.629008 0.710225 0.602783
H -3.436116 1.456446 1.702713
H -4.376410 2.474672 0.557619
H 1.442678 2.612492 -0.189533
H 2.681273 2.004652 -1.330609
H 3.086032 2.210662 0.406201
H 4.728614 -1.428648 -0.838574


