%chk=000045834.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045834

0 1
 O    2.445200     -6.8099998E-02   1.505500    
 N   0.5205000      4.4700000E-02  0.2167000    
 N   -2.217500     -0.8043000     -2.4599999E-02
 C  -8.0799997E-02 -7.5400002E-02  -1.113900    
 C  -0.4557000      0.4693000       1.229400    
 C  -0.5332000       1.323100      -1.572900    
 C  -0.9261000       1.894300      0.8811000    
 C   -1.216800      -1.116300      -1.055500    
 C   -1.593800     -0.5710000       1.286200    
 C   -1.429000       2.045100     -0.5595000    
 C    1.882700     -0.1552000      0.4113000    
 C   -3.236600      -1.847200      5.4200001E-02
 C    2.692600     -0.4944000     -0.8137000    
 C    4.148500     -0.6445000     -0.4443000    
 H   0.6160000     -0.4395000      -1.869600    
 H   4.1800000E-02  0.4967000       2.205900    
 H   -1.046600       1.260800      -2.539500    
 H   0.3614000       1.940000      -1.731600    
 H  -7.6099999E-02   2.577200       1.013000    
 H   -1.702800       2.221900       1.581700    
 H   -1.704100      -1.165500      -2.037100    
 H  -0.7765000      -2.103700     -0.8597000    
 H   -1.183800      -1.513800       1.674100    
 H   -2.351800     -0.2275000       2.000700    
 H   -1.486500       3.109600     -0.8165000    
 H   -2.455300       1.670100     -0.6364000    
 H   -3.739200      -1.967800     -0.9119000    
 H   -4.011200      -1.574000      0.7793000    
 H   -2.816000      -2.815800      0.3473000    
 H    2.342200      -1.442100      -1.235400    
 H    2.599100      0.3065000      -1.554200    
 H    4.740200     -0.8887000      -1.332600    
 H    4.298300      -1.447200      0.2861000    
 H    4.553100      0.2803000     -1.8500000E-02


%chk=000045834-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045834

0 1
O 2.333429 0.021476 1.566851
N 0.529960 0.091038 0.105777
N -2.198403 -0.822893 -0.013356
C -0.140593 -0.007469 -1.212582
C -0.417140 0.498202 1.177044
C -0.649146 1.403722 -1.625174
C -0.932279 1.930189 0.870339
C -1.243839 -1.094418 -1.112730
C -1.513344 -0.588930 1.282956
C -1.547243 2.063717 -0.547275
C 1.874765 -0.120004 0.387009
C -3.243759 -1.856569 0.084956
C 2.781430 -0.535765 -0.787345
C 4.239899 -0.745799 -0.341253
H 0.585944 -0.352653 -1.966829
H 0.159123 0.506486 2.118777
H -1.195922 1.330864 -2.585506
H 0.243428 2.036854 -1.805089
H -0.070102 2.618602 0.973939
H -1.676153 2.224915 1.635693
H -1.807913 -1.138666 -2.064584
H -0.733329 -2.085683 -0.976843
H -1.028675 -1.525643 1.663631
H -2.272391 -0.279347 2.026548
H -1.691761 3.134372 -0.791835
H -2.534788 1.574034 -0.556899
H -3.779381 -1.941335 -0.877988
H -3.976593 -1.572362 0.861533
H -2.839636 -2.868285 0.346043
H 2.387584 -1.467240 -1.242060
H 2.736265 0.239290 -1.579101
H 4.866085 -1.047245 -1.200845
H 4.303214 -1.524786 0.436771
H 4.653464 0.178933 0.094526


