%chk=000005078.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005078

0 1
 N   -1.559200      -3.094100     -0.8201000    
 N   -3.994800       2.169400     -8.9999998E-04
 N    3.184800      0.8772000      0.3999000    
 N    4.231100      0.5185000     -0.3363000    
 N    3.519500       2.642200     -0.8014000    
 C   -2.188200      -1.172100      9.4899997E-02
 C  -0.7774000      -1.291900      0.2370000    
 C   -3.026800     -4.9100000E-02  0.5611000    
 C  -0.4084000      -2.506400     -0.3453000    
 C   -3.187000       1.059500     -0.4952000    
 C   0.2242000     -0.4810000      0.8069000    
 C   -2.640100      -2.295400     -0.5586000    
 C    1.554700     -0.9144000      0.7733000    
 C   0.9174000      -2.952400     -0.3863000    
 C    1.893600      -2.131400      0.1853000    
 C    2.621200     -6.0699999E-02   1.375600    
 C   -4.090600       3.225400      -1.009900    
 C   -3.432300       2.702400       1.240800    
 C    2.758200       2.124600      0.1346000    
 C    4.400100       1.630100      -1.055700    
 H   -4.018300     -0.4243000      0.8478000    
 H   -2.567300      0.3315000       1.479600    
 H   -3.664700      0.6289000      -1.385100    
 H   -2.193400       1.408500     -0.8095000    
 H  -3.6300000E-02  0.4696000       1.264400    
 H   -3.632300      -2.599100     -0.8622000    
 H   -1.599500      -3.986300      -1.293100    
 H    1.182200      -3.899600     -0.8440000    
 H    2.930100      -2.460800      0.1627000    
 H    2.234500      0.5343000       2.212000    
 H    3.448500     -0.6624000       1.771500    
 H   -4.749800       4.029800     -0.6647000    
 H   -3.112900       3.658700      -1.250000    
 H   -4.531900       2.835600      -1.934100    
 H   -3.608600       2.032100       2.087600    
 H   -2.360100       2.916200       1.159500    
 H   -3.935400       3.637500       1.516600    
 H    1.921700       2.605300      0.6223000    
 H    5.189500       1.704600      -1.788600    


%chk=000005078-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005078

0 1
N -1.476343 -3.079326 -0.973911
N -4.234016 2.132649 0.194308
N 3.510648 0.824511 0.361946
N 4.769362 0.209842 0.299395
N 4.592501 1.901958 -1.282973
C -2.296457 -1.208818 0.066416
C -0.844529 -1.201409 0.158491
C -3.244041 -0.160854 0.597333
C -0.358713 -2.385620 -0.501479
C -3.238274 1.133595 -0.259896
C 0.095439 -0.310589 0.741877
C -2.638306 -2.369057 -0.629140
C 1.470919 -0.604757 0.665786
C 1.018764 -2.688660 -0.588250
C 1.923986 -1.789550 0.002620
C 2.491860 0.325449 1.309605
C -4.482757 3.167627 -0.830973
C -3.903182 2.734211 1.501846
C 3.429396 1.817601 -0.589137
C 5.373136 0.904026 -0.707502
H -4.280271 -0.545116 0.617174
H -2.973677 0.082893 1.643425
H -3.487431 0.855748 -1.301117
H -2.200799 1.560689 -0.280911
H -0.247568 0.598757 1.251522
H -3.624658 -2.742773 -0.898948
H -1.453364 -3.962152 -1.478904
H 1.377876 -3.591567 -1.094384
H 3.000748 -1.988746 -0.046356
H 1.986439 1.195168 1.765990
H 3.062022 -0.192036 2.100300
H -5.290416 3.841085 -0.491410
H -3.583758 3.796578 -1.058151
H -4.810496 2.689636 -1.771238
H -3.856017 1.958747 2.284914
H -2.925649 3.284196 1.496638
H -4.694699 3.449485 1.788178
H 2.548320 2.432932 -0.749711
H 6.390004 0.684148 -1.020971


