%chk=000052331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052331

0 1
 N    4.622900     -0.3014000     -0.5674000    
 C  -0.9899000      9.3599997E-02 -7.0600003E-02
 C   0.4484000     -7.1000000E-03 -0.1924000    
 C   -1.616700       1.331600      8.3200000E-02
 C   -1.756400      -1.072700     -0.1090000    
 C    1.236500     -0.1580000      0.9485000    
 C    2.623000     -0.2557000      0.8307000    
 C   -3.144700      -1.001300      5.9000002E-03
 C    1.046900      4.6000000E-02  -1.451200    
 C   -3.004900       1.403000      0.1982000    
 C    3.221300     -0.2027000     -0.4282000    
 C   -3.768900      0.2366000      0.1595000    
 C    2.433200     -5.1600002E-02  -1.569100    
 C  -0.8311000       2.603000      0.1288000    
 C    3.442900     -0.4153000       2.069600    
 C   -3.962400      -2.247900     -3.6499999E-02
 H   -1.275600      -2.041900     -0.2270000    
 H   0.7689000     -0.1988000       1.930300    
 H   0.4472000      0.1635000      -2.350800    
 H   -3.508400       2.358500      0.3190000    
 H   -4.849600      0.3055000      0.2518000    
 H    2.886500     -8.8999998E-03  -2.556300    
 H  -0.1344000       2.599000      0.9734000    
 H  -0.2760000       2.750200     -0.8033000    
 H   -1.480900       3.476300      0.2550000    
 H    4.003800      -1.355300       2.040600    
 H    4.139500      0.4223000       2.179800    
 H    2.819700     -0.4382000       2.970400    
 H   -3.511300      -2.991600     -0.7021000    
 H   -4.044600      -2.677200      0.9669000    
 H   -4.970600      -2.049000     -0.4155000    
 H    5.220300     -0.4092000      0.2402000    
 H    5.038100     -0.2590000      -1.489000    


%chk=000052331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052331

0 1
N 4.697352 -0.311182 -0.562813
C -1.036428 0.114933 -0.078963
C 0.457693 0.008735 -0.207278
C -1.672656 1.384159 0.081895
C -1.827314 -1.060448 -0.122744
C 1.282342 -0.151149 0.936355
C 2.688523 -0.260987 0.853102
C -3.240060 -1.026501 -0.008842
C 1.090707 0.059392 -1.475315
C -3.084933 1.417811 0.191823
C 3.306656 -0.206518 -0.437721
C -3.859795 0.237548 0.145914
C 2.490438 -0.047222 -1.592190
C -0.864118 2.669920 0.129319
C 3.539177 -0.436276 2.098053
C -4.058052 -2.307465 -0.029830
H -1.319960 -2.024977 -0.250414
H 0.810445 -0.196640 1.926230
H 0.479865 0.177775 -2.377969
H -3.585084 2.387132 0.311118
H -4.952195 0.299644 0.229408
H 2.959695 -0.008864 -2.583594
H -0.132440 2.657025 0.958558
H -0.278234 2.813229 -0.797643
H -1.521017 3.547298 0.261682
H 4.117970 -1.382678 2.073660
H 4.267001 0.392153 2.222159
H 2.911968 -0.459542 3.004756
H -3.598450 -3.070689 -0.683028
H -4.136955 -2.748706 0.983170
H -5.086458 -2.124439 -0.389053
H 5.291674 -0.423938 0.251560
H 5.135344 -0.272232 -1.477964


