%chk=000006852.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006852

0 1
 O    5.882100      -2.210300      0.4108000    
 N   -3.550800       1.297800      0.3689000    
 N    1.920900       1.613000     -0.3745000    
 C   -1.573900      0.3783000     -9.8800004E-02
 C   -2.577600     -0.6408000     -0.1480000    
 C   -2.211800       1.575800      0.2259000    
 C   -3.799500     -3.6200002E-02  0.1478000    
 C  -0.1778000      0.3913000     -0.3014000    
 C   0.5230000       1.595700     -0.1724000    
 C   -1.524700       2.787800      0.3587000    
 C   -2.557900      -2.025400     -0.4180000    
 C  -0.1426000       2.775100      0.1527000    
 C   -5.005200     -0.7459000      0.1876000    
 C   -3.755500      -2.748400     -0.3822000    
 C   -4.960100      -2.116000     -8.3800003E-02
 C    2.923400      0.6461000     -0.1759000    
 C    4.064100      0.6432000     -0.9814000    
 C    2.780600     -0.3152000      0.8272000    
 C    5.057300     -0.3162000     -0.7849000    
 C    3.773800      -1.274600       1.023900    
 C    4.912400      -1.275200      0.2178000    
 H   -4.256800       1.981700      0.6044000    
 H   0.3243000     -0.5316000     -0.5767000    
 H   -2.042500       3.706800      0.6124000    
 H   -1.626300      -2.532800     -0.6524000    
 H   0.4091000       3.707500      0.2523000    
 H   -5.943900     -0.2540000      0.4200000    
 H    2.269200       2.496500     -0.7361000    
 H   -3.743800      -3.815000     -0.5898000    
 H   -5.879400      -2.695500     -6.1099999E-02
 H    4.188600       1.384400      -1.766800    
 H    1.915700     -0.3258000       1.484900    
 H    5.939400     -0.3059000      -1.419700    
 H    3.657700      -2.016000       1.809800    
 H    6.595500      -2.061900     -0.2335000    


%chk=000006852-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006852

0 1
O 5.944816 -2.301972 0.359194
N -3.638079 1.362056 0.318731
N 1.946658 1.661007 -0.352015
C -1.580966 0.387016 -0.069202
C -2.601856 -0.655525 -0.100298
C -2.260660 1.625693 0.190028
C -3.866709 -0.012227 0.144992
C -0.180364 0.370478 -0.253150
C 0.544032 1.585834 -0.152782
C -1.554533 2.842604 0.272017
C -2.564972 -2.054247 -0.309089
C -0.155714 2.807291 0.112733
C -5.077133 -0.736923 0.184670
C -3.770954 -2.785728 -0.271247
C -5.011864 -2.131413 -0.026738
C 2.918342 0.644281 -0.192012
C 4.150514 0.755598 -0.893107
C 2.741855 -0.461126 0.689953
C 5.175774 -0.197751 -0.719742
C 3.755855 -1.423576 0.849145
C 4.975241 -1.298012 0.145791
H -4.354776 2.057969 0.508575
H 0.335458 -0.561460 -0.500003
H -2.063582 3.792538 0.466997
H -1.613971 -2.564974 -0.497787
H 0.418710 3.737708 0.201124
H -6.036710 -0.242403 0.371776
H 2.299806 2.565172 -0.666832
H -3.756689 -3.869181 -0.431013
H -5.935093 -2.721402 -0.002201
H 4.305370 1.592871 -1.584648
H 1.822517 -0.552419 1.274853
H 6.119114 -0.085423 -1.270128
H 3.622760 -2.271029 1.528335
H 6.754806 -2.123025 -0.179218


