%chk=000047378.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047378

0 1
 N  -1.1700000E-02   1.200900       1.325900    
 C  -6.0000001E-03  0.2663000      0.1858000    
 C    1.244500      0.5912000     -0.6841000    
 C   -1.268600      0.5237000     -0.6908000    
 C   3.2499999E-02  -1.168700      0.7772000    
 C    2.603200      0.3996000      2.9000000E-03
 C   -2.623200      0.2624000     -1.9500000E-02
 C   9.0599999E-02  -2.296900     -0.2592000    
 C  -7.8599997E-02   2.570600      0.8535000    
 C    3.749900      0.6850000     -0.9567000    
 C   -3.774800      0.6290000     -0.9453000    
 C   4.1999999E-02  -3.663100      0.4102000    
 H    1.194700       1.584300      -1.144400    
 H    1.226600     -8.1299998E-02  -1.553800    
 H   -1.212100     -0.1383000      -1.566500    
 H   -1.261700       1.522500      -1.142600    
 H   0.8906000      -1.275300       1.454000    
 H  -0.8469000      -1.324100       1.416400    
 H   0.8167000       1.069700       1.903500    
 H    2.713700     -0.6261000      0.3679000    
 H    2.701600       1.069200      0.8632000    
 H   -2.713800      0.8469000      0.9021000    
 H   -2.718400     -0.7945000      0.2501000    
 H    1.011300      -2.230500     -0.8477000    
 H  -0.7510000      -2.227300     -0.9550000    
 H   -1.011000       2.837500      0.3511000    
 H   0.7832000       2.913000      0.2771000    
 H  -7.4000001E-02   3.208300       1.747200    
 H    3.707200       1.715600      -1.323300    
 H    3.717800      1.0900000E-02  -1.818700    
 H    4.710600      0.5442000     -0.4515000    
 H   -3.743900       1.691200      -1.208500    
 H   -4.732800      0.4289000     -0.4552000    
 H   -3.736900      4.3499999E-02  -1.869500    
 H   8.8900000E-02  -4.455900     -0.3431000    
 H   0.8862000      -3.794600       1.094500    
 H  -0.8851000      -3.789200      0.9784000    


%chk=000047378-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047378

0 1
N -0.072923 1.203741 1.273784
C -0.004740 0.261345 0.112578
C 1.260169 0.503592 -0.788091
C -1.266491 0.466422 -0.784870
C 0.014631 -1.162303 0.749565
C 2.626947 0.377549 -0.079071
C -2.627109 0.254798 -0.086759
C 0.049614 -2.357999 -0.227364
C -0.029753 2.654694 1.026164
C 3.804062 0.777689 -0.995968
C -3.814649 0.673170 -0.980971
C 0.057496 -3.712136 0.516249
H 1.182892 1.520984 -1.226290
H 1.231409 -0.193453 -1.650283
H -1.187576 -0.206658 -1.662337
H -1.236878 1.495767 -1.200030
H 0.894680 -1.235677 1.424555
H -0.873834 -1.249186 1.404093
H 0.578289 0.920197 2.016745
H 2.777899 -0.662305 0.272931
H 2.636604 1.019413 0.826135
H -2.630817 0.831702 0.857391
H -2.744461 -0.810196 0.196452
H 0.945892 -2.295315 -0.875898
H -0.828628 -2.318813 -0.901564
H -0.918491 2.973396 0.451587
H 0.871809 3.020922 0.477940
H -0.067667 3.181486 1.997224
H 3.702528 1.826041 -1.335205
H 3.840195 0.137628 -1.897884
H 4.775013 0.682939 -0.475188
H -3.754416 1.746668 -1.244493
H -4.782587 0.505373 -0.473038
H -3.826530 0.098658 -1.927360
H 0.080382 -4.561975 -0.190710
H 0.941632 -3.797514 1.176375
H -0.843293 -3.822044 1.149208


