%chk=000080258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080258

0 1
 N   -1.988000       2.270100       0.000000    
 N   -3.517900      2.9000000E-03   0.000000    
 C   0.6288000     -0.3086000      3.0000001E-04
 C   1.5699999E-02  0.9478000      9.9999997E-05
 C   -1.393000       1.059300      9.9999997E-05
 C   -1.541800      -1.360400       0.000000    
 C   -2.172400     -9.5700003E-02  9.9999997E-05
 C  -0.1473000      -1.458700      1.9999999E-04
 C    2.072200     -0.4815000      1.9999999E-04
 C   0.7826000       2.121000      9.9999997E-05
 C   -2.342800      -2.510500       0.000000    
 C    2.757900     -0.5637000      -1.207900    
 C    2.758200     -0.5633000       1.208200    
 C   0.1630000       3.360800     -3.0000001E-04
 C   -3.724300      -2.400000     -9.9999997E-05
 C   -1.214800       3.380100     -1.9999999E-04
 C   -4.257900      -1.129500     -1.9999999E-04
 C    4.142800     -0.7294000      -1.208200    
 C    4.143400     -0.7288000       1.207800    
 C    4.835500     -0.8118000     -3.9999999E-04
 H   0.3252000      -2.440200      3.0000001E-04
 H    1.869200       2.108100      1.9999999E-04
 H   -1.893700      -3.501300      9.9999997E-05
 H    2.232400     -0.5006000      -2.157700    
 H    2.233200     -0.4998000       2.158100    
 H   0.7399000       4.278000     -3.9999999E-04
 H   -4.358600      -3.278400     -9.9999997E-05
 H   -1.758600       4.319000     -3.0000001E-04
 H   -5.332100     -0.9766000     -3.0000001E-04
 H    4.681900     -0.7938000      -2.148800    
 H    4.683000     -0.7929000       2.148200    
 H    5.913900     -0.9406000     -6.0000003E-04


%chk=000080258-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080258

0 1
N -2.043917 2.322050 0.000020
N -3.631758 0.019757 0.000063
C 0.636164 -0.368646 -0.000057
C 0.018522 0.950571 -0.000041
C -1.421817 1.090891 0.000001
C -1.609008 -1.403452 -0.000001
C -2.258717 -0.114226 0.000018
C -0.170152 -1.494758 -0.000041
C 2.132842 -0.506315 -0.000091
C 0.798096 2.149754 -0.000080
C -2.436083 -2.568723 0.000022
C 2.851436 -0.575619 -1.222282
C 2.851568 -0.574850 1.222064
C 0.158163 3.393717 -0.000062
C -3.827566 -2.426008 0.000062
C -1.266965 3.427003 -0.000012
C -4.375901 -1.108275 0.000090
C 4.257862 -0.718535 -1.222503
C 4.257992 -0.717778 1.222224
C 4.965465 -0.789640 -0.000155
H 0.292804 -2.489015 -0.000051
H 1.890327 2.078363 -0.000124
H -1.969458 -3.560661 0.000005
H 2.304484 -0.520318 -2.170485
H 2.304719 -0.518966 2.170292
H 0.728763 4.327692 -0.000088
H -4.492141 -3.295608 0.000074
H -1.799542 4.385907 0.000011
H -5.463163 -0.963436 0.000110
H 4.798430 -0.775087 -2.174025
H 4.798662 -0.773743 2.173723
H 6.055489 -0.901046 -0.000181


