%chk=000084347.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084347

0 1
 O  -8.6000003E-03   1.714400     -0.4492000    
 N  -0.8163000     -0.4240000      7.9899997E-02
 N    4.970300       1.278200      0.5658000    
 C    1.554000      2.1600001E-02 -0.1275000    
 C   -2.220600     -0.2386000      7.9999998E-02
 C   0.1884000      0.5199000     -0.1738000    
 C    2.601200      0.8841000      0.1965000    
 C    1.816300      -1.319300     -0.4085000    
 C    3.910800      0.4058000      0.2396000    
 C    3.125900      -1.797600     -0.3654000    
 C    4.173200     -0.9350000     -4.1499998E-02
 C   -2.737000       1.015100     -0.1994000    
 C   -3.044900      -1.314900      0.3602000    
 C   -4.119800       1.197900     -0.1988000    
 C   -4.427700      -1.132000      0.3608000    
 C   -4.965300      0.1244000      8.1299998E-02
 H    2.405000       1.930200      0.4217000    
 H  -0.5351000      -1.366300      0.3369000    
 H    1.040600      -2.019700     -0.7036000    
 H    3.332000      -2.839400     -0.5930000    
 H    5.189600      -1.319400     -1.3500000E-02
 H   -2.151500       1.893500     -0.4252000    
 H   -2.637000      -2.297800      0.5791000    
 H   -4.539800       2.175800     -0.4162000    
 H   -5.086100      -1.967800      0.5789000    
 H   -6.041900      0.2668000      8.1699997E-02
 H    4.780900       2.249900      0.7722000    
 H    5.919600      0.9309000      0.5996000    


%chk=000084347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084347

0 1
O -0.005940 1.792947 -0.287165
N -0.834888 -0.373285 0.084490
N 5.024504 1.286212 0.526862
C 1.584862 -0.037336 -0.095877
C -2.241136 -0.159376 0.069980
C 0.194384 0.549387 -0.118265
C 2.641097 0.853318 0.193589
C 1.861896 -1.404027 -0.375564
C 3.988323 0.401288 0.233813
C 3.200392 -1.854613 -0.338895
C 4.256165 -0.975070 -0.031276
C -2.834291 1.104859 -0.196968
C -3.072207 -1.283231 0.334514
C -4.241171 1.220231 -0.198838
C -4.474654 -1.149537 0.330905
C -5.070358 0.105366 0.062599
H 2.391772 1.904932 0.376094
H -0.540842 -1.326407 0.309092
H 1.071587 -2.100603 -0.678187
H 3.426168 -2.902763 -0.565167
H 5.289030 -1.343535 -0.006861
H -2.191345 1.964887 -0.390449
H -2.617744 -2.261268 0.541930
H -4.691600 2.197549 -0.406233
H -5.101277 -2.024480 0.536559
H -6.160452 0.210597 0.058880
H 4.833904 2.268500 0.701587
H 5.990021 0.972158 0.547453


