%chk=000047382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047382

0 1
 N  -0.1513000       1.129300      0.9662000    
 C   9.9999997E-05 -6.9999998E-04  3.1599998E-02
 C    1.224700      0.3033000     -0.8816000    
 C   -1.260200     -7.9000004E-02 -0.8819000    
 C   0.1979000      -1.277100      0.8932000    
 C    2.577300      0.4210000     -0.1666000    
 C   -2.590400     -0.3729000     -0.1763000    
 C   0.4221000      -2.568700      9.8300003E-02
 C  -0.3619000       2.363500      0.2342000    
 C    3.706200      0.6560000      -1.160300    
 C   -3.752500     -0.3406000      -1.159300    
 C   0.5230000      -3.774000       1.022700    
 C  -0.5351000       3.540000       1.179800    
 H    1.067300       1.165800      -1.538600    
 H    1.314400     -0.5271000      -1.597000    
 H   -1.098700     -0.8925000      -1.603700    
 H   -1.362700      0.7955000      -1.534000    
 H    1.043100      -1.138900       1.580400    
 H  -0.6730000      -1.417200       1.547500    
 H  -0.9274000      0.9628000       1.604700    
 H    2.802600     -0.4933000      0.3910000    
 H    2.560300       1.248300      0.5508000    
 H   -2.785100      0.3646000      0.6088000    
 H   -2.562900      -1.359800      0.2970000    
 H    1.343600      -2.503100     -0.4889000    
 H  -0.4023000      -2.742400     -0.5999000    
 H   0.4834000       2.641300     -0.3987000    
 H   -1.270400       2.361800     -0.3719000    
 H    3.547800       1.582300      -1.721700    
 H    3.780200     -0.1711000      -1.873600    
 H    4.662700      0.7374000     -0.6344000    
 H   -3.844800      0.6455000      -1.625700    
 H   -4.691800     -0.5605000     -0.6423000    
 H   -3.617800      -1.085000      -1.950600    
 H   0.6875000      -4.685600      0.4397000    
 H    1.357600      -3.662800       1.722200    
 H  -0.3971000      -3.902800       1.601600    
 H   -1.403600       3.399700       1.832400    
 H   0.3497000       3.672400       1.811900    
 H  -0.6859000       4.465700      0.6144000    


%chk=000047382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047382

0 1
N -0.127402 1.161190 0.842465
C -0.002243 -0.013981 -0.079023
C 1.247967 0.186055 -0.995012
C -1.251318 -0.185755 -1.016490
C 0.176695 -1.244728 0.864023
C 2.596310 0.352882 -0.261730
C -2.609580 -0.368226 -0.304072
C 0.360186 -2.619044 0.183914
C -0.422561 2.498125 0.288347
C 3.737393 0.759979 -1.219142
C -3.796425 -0.367615 -1.292780
C 0.529177 -3.755141 1.217501
C -0.479951 3.537793 1.423578
H 1.076695 1.079646 -1.630975
H 1.308477 -0.668798 -1.698492
H -1.078808 -1.045190 -1.695585
H -1.314891 0.706028 -1.674785
H 1.044632 -1.041916 1.520170
H -0.704431 -1.303650 1.539018
H -0.751733 0.944372 1.632584
H 2.869946 -0.593729 0.245431
H 2.471047 1.110416 0.535062
H -2.752834 0.444854 0.437341
H -2.613273 -1.317377 0.267545
H 1.247383 -2.596063 -0.478902
H -0.510529 -2.843912 -0.463313
H 0.384005 2.777464 -0.415774
H -1.378590 2.542771 -0.290651
H 3.518380 1.728226 -1.709001
H 3.878856 0.007375 -2.018811
H 4.698303 0.864784 -0.681788
H -3.843792 0.585567 -1.852860
H -4.761478 -0.501213 -0.769617
H -3.697216 -1.184171 -2.032977
H 0.661507 -4.735699 0.724087
H 1.411729 -3.576965 1.860449
H -0.356230 -3.824955 1.877648
H -1.287025 3.297534 2.143073
H 0.475385 3.555083 1.977251
H -0.677165 4.549086 1.023692


