%chk=000040863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040863

0 1
 N   -2.896700      0.1494000      0.3231000    
 C  -0.8526000     -0.9736000     -0.5995000    
 C   0.5121000      -1.663600     -0.2308000    
 C  -0.4479000      0.3674000      -1.273600    
 C   -1.773300     -0.7458000      0.6278000    
 C    1.342700     -0.4368000      9.6600004E-02
 C   0.7797000      0.7195000     -0.4752000    
 C   -1.581200       1.388500      -1.333400    
 C   -2.393900       1.477200     -4.6399999E-02
 C    1.112200      -2.378900      -1.456800    
 C   0.4193000      -2.668600      0.9244000    
 C    2.512900     -0.3616000      0.8396000    
 C    1.385800       1.956600     -0.3183000    
 C   -3.793900      0.2500000       1.475200    
 C    3.117100      0.8850000       1.010900    
 C    2.557800       2.035200      0.4365000    
 H   -1.411900      -1.587200      -1.319300    
 H  -0.1126000      0.1784000      -2.302400    
 H   -2.169400      -1.721400      0.9370000    
 H   -1.201800     -0.3479000       1.477000    
 H   -2.260500       1.095000      -2.145800    
 H   -1.202200       2.381900      -1.598300    
 H   -1.789300       1.915600      0.7582000    
 H   -3.235200       2.158300     -0.2251000    
 H    1.227900      -1.712500      -2.318500    
 H    2.107000      -2.781500      -1.231400    
 H   0.4759000      -3.215100      -1.767900    
 H   0.1423000      -2.193600       1.871500    
 H  -0.3174000      -3.449000      0.7039000    
 H    1.381300      -3.165900       1.096500    
 H    2.959400      -1.246300       1.280500    
 H   0.9728000       2.851100     -0.7714000    
 H   -4.653000      0.8877000       1.238500    
 H   -3.291700      0.6615000       2.358300    
 H   -4.198000     -0.7347000       1.735200    
 H    4.032800      0.9653000       1.590500    
 H    3.046500       2.996000      0.5745000    


%chk=000040863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040863

0 1
N -2.900436 0.163486 0.342293
C -0.879366 -0.997064 -0.602485
C 0.499544 -1.671301 -0.221501
C -0.459778 0.358026 -1.272462
C -1.764251 -0.740695 0.641954
C 1.347690 -0.433866 0.119292
C 0.792924 0.730554 -0.476505
C -1.597933 1.400579 -1.355500
C -2.401358 1.504420 -0.048073
C 1.103058 -2.378864 -1.473962
C 0.417847 -2.704250 0.926890
C 2.540585 -0.355982 0.862692
C 1.426135 1.979249 -0.329039
C -3.852144 0.233713 1.469491
C 3.176684 0.902001 1.019334
C 2.622773 2.061843 0.427907
H -1.449420 -1.626041 -1.311765
H -0.138240 0.141614 -2.314468
H -2.173675 -1.701446 1.004691
H -1.133200 -0.315191 1.467321
H -2.294640 1.100257 -2.160680
H -1.189869 2.394121 -1.627481
H -1.764617 1.950053 0.761630
H -3.268682 2.175378 -0.193702
H 1.177069 -1.693481 -2.337209
H 2.120756 -2.751786 -1.255620
H 0.476456 -3.241384 -1.770607
H 0.077731 -2.250308 1.873585
H -0.274237 -3.527285 0.666543
H 1.411186 -3.155547 1.109706
H 2.973893 -1.249863 1.327434
H 1.003441 2.882087 -0.786081
H -4.705791 0.879915 1.196522
H -3.396719 0.640896 2.408966
H -4.243064 -0.775834 1.690749
H 4.100878 0.978351 1.603876
H 3.121772 3.029244 0.557865


