%chk=000046716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046716

2 1
 N    4.454100      0.1650000     -0.4475000    
 N  -0.2280000     -0.5664000      0.8224000    
 C    3.553200     -9.2399999E-02  0.7003000    
 C    2.112900     -0.2367000      0.2286000    
 C    1.125000     -0.4547000       1.371100    
 C    4.384100     -0.9819000      -1.466500    
 C    4.065600       1.464700      -1.167500    
 C    5.911300      0.2976000      1.8999999E-02
 C  -0.9829000      0.5297000      0.6733000    
 C   -2.274100      0.4314000      0.1509000    
 C  -0.6582000      -1.788200      0.4877000    
 C   -2.757800     -0.8441000     -0.2125000    
 C   -1.930900      -1.960900     -3.7500001E-02
 C  -0.3916000       1.840500       1.082800    
 C   -3.092100       1.559200     -1.8900000E-02
 C   -4.054700     -0.9595000     -0.7393000    
 C   -4.377800       1.426700     -0.5435000    
 C   -4.858200      0.1699000     -0.9029000    
 H    3.650100      0.7433000       1.403900    
 H    3.890800      -1.006300       1.204100    
 H    1.787200      0.6346000     -0.3436000    
 H    2.013800      -1.096300     -0.4430000    
 H    1.175000      0.2984000       2.162000    
 H    1.357200      -1.399600       1.880900    
 H    3.423700     -0.9591000      -1.987000    
 H    5.185500     -0.8353000      -2.197800    
 H    4.528100      -1.926200     -0.9336000    
 H    3.961200       2.256400     -0.4202000    
 H    4.866200       1.714800      -1.871200    
 H    3.140100       1.319500      -1.729300    
 H    6.545500      0.4849000     -0.8524000    
 H    5.967400       1.133400      0.7226000    
 H    6.197300     -0.6380000      0.5085000    
 H   1.7200001E-02  -2.623100      0.6344000    
 H   -2.268000      -2.958100     -0.3069000    
 H  -0.6928000       2.640500      0.3985000    
 H  -0.7325000       2.099600       2.090500    
 H   0.6958000       1.907300       1.061300    
 H   -2.776100       2.559600      0.2606000    
 H   -4.450400      -1.931400      -1.026500    
 H   -5.006500       2.303600     -0.6681000    
 H   -5.859900      6.7900002E-02  -1.310400    


%chk=000046716-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046716

2 1
N 4.715324 0.100759 -0.477255
N -0.286719 -0.410305 0.669850
C 3.573269 -0.093746 0.551140
C 2.138077 -0.082505 -0.018734
C 1.132537 -0.297989 1.148610
C 4.707827 -1.009910 -1.531232
C 4.613106 1.462996 -1.168072
C 6.045003 0.038180 0.291828
C -1.135764 0.674126 0.587463
C -2.498391 0.458333 0.183059
C -0.708899 -1.706005 0.330279
C -2.946263 -0.880847 -0.166556
C -1.999510 -1.951792 -0.086448
C -0.642750 2.057273 0.940458
C -3.446745 1.535176 0.128418
C -4.298446 -1.098866 -0.562973
C -4.767544 1.291922 -0.255819
C -5.196779 -0.027221 -0.607545
H 3.702894 0.711276 1.296929
H 3.782843 -1.056883 1.050642
H 1.914292 0.875867 -0.520747
H 1.997717 -0.891011 -0.758620
H 1.201434 0.510254 1.892478
H 1.362135 -1.237610 1.680318
H 3.806151 -0.927437 -2.154674
H 5.598752 -0.897603 -2.167545
H 4.737472 -1.988238 -1.027210
H 4.596132 2.255891 -0.404449
H 5.492464 1.596575 -1.816264
H 3.702453 1.502485 -1.782688
H 6.874393 0.184268 -0.416217
H 6.062203 0.834098 1.051850
H 6.138819 -0.946831 0.773863
H 0.034065 -2.497317 0.440767
H -2.294506 -2.974977 -0.334800
H -1.020142 2.793840 0.212957
H -1.021748 2.364498 1.933773
H 0.451357 2.153894 0.953887
H -3.153442 2.552320 0.399599
H -4.625945 -2.109919 -0.825704
H -5.485844 2.116542 -0.288247
H -6.235481 -0.193257 -0.909068


