%chk=000041419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041419

0 1
 N   -2.652600     -0.4019000      0.5382000    
 N    2.934800      -1.826500     -0.4718000    
 C   -5.034000      1.3300000E-02  0.1111000    
 C   -6.169900      0.2658000     -0.8088000    
 C   -5.663300       1.356400      8.8799998E-02
 C   -3.647000     -0.1355000     -0.4910000    
 C   -1.324900     -0.5501000     -4.8200000E-02
 C  -0.2511000     -0.8437000       1.017100    
 C    1.102800     -0.9666000      0.4397000    
 C    2.042800      8.5400000E-02  0.2536000    
 C    3.183400     -0.4810000     -0.3197000    
 C    1.680000      -2.129400     -1.5699999E-02
 C    2.032800       1.469200      0.5186000    
 C    4.318900      0.2703000     -0.6425000    
 C    3.161500       2.233400      0.2009000    
 C    4.285900       1.641000     -0.3705000    
 H   -5.222300     -0.6486000      0.9471000    
 H   -7.127600     -0.1793000     -0.5680000    
 H   -5.974600      0.3565000      -1.870200    
 H   -5.137600       2.183300     -0.3723000    
 H   -6.279000       1.639800      0.9340000    
 H   -3.379500      0.7601000      -1.065300    
 H   -3.680100     -0.9798000      -1.190600    
 H   -2.640400      0.3664000       1.208900    
 H   -1.331100      -1.369500     -0.7785000    
 H   -1.051600      0.3649000     -0.5898000    
 H  -0.5110000      -1.770300       1.546200    
 H  -0.2604000     -5.0500002E-02   1.775900    
 H    1.312000      -3.145300     -5.7399999E-02
 H    3.585100      -2.493500     -0.8637000    
 H    1.164300       1.947300      0.9625000    
 H    5.194700     -0.1898000      -1.087400    
 H    3.159300       3.301300      0.4026000    
 H    5.151700       2.253400     -0.6093000    


%chk=000041419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041419

0 1
N -2.675179 -0.474022 0.315401
N 3.150922 -1.893980 -0.099879
C -5.078194 -0.105254 -0.094509
C -6.190747 0.707430 -0.767485
C -5.572699 1.203190 0.551747
C -3.690389 -0.162817 -0.713736
C -1.284104 -0.534608 -0.177013
C -0.319038 -0.935320 0.968172
C 1.120823 -1.035413 0.528497
C 2.019156 0.065503 0.211599
C 3.284778 -0.503194 -0.178556
C 1.849799 -2.207496 0.327830
C 1.882040 1.479793 0.230981
C 4.392673 0.292427 -0.546299
C 2.983121 2.279292 -0.131748
C 4.225038 1.691900 -0.518413
H -5.376667 -1.034169 0.404291
H -7.209787 0.311007 -0.745167
H -5.942673 1.256012 -1.681929
H -4.914722 2.077883 0.502719
H -6.175081 1.142861 1.462726
H -3.489548 0.801765 -1.250516
H -3.655030 -0.962429 -1.481169
H -2.769973 0.156432 1.125019
H -1.232049 -1.299751 -0.975895
H -0.937121 0.425512 -0.635415
H -0.668801 -1.898513 1.382680
H -0.411876 -0.188271 1.784949
H 1.537013 -3.241827 0.461737
H 3.882385 -2.570087 -0.305773
H 0.934399 1.944057 0.527544
H 5.349418 -0.153306 -0.841662
H 2.891061 3.371165 -0.119171
H 5.063052 2.340730 -0.797055


