%chk=000043006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043006

0 1
 O   -4.008300       1.554500      7.7999998E-03
 O   -4.218900     -0.5997000      0.3741000    
 N    1.904100     -0.5034000     -0.3200000    
 N   0.6407000      -2.282100      0.1039000    
 N    4.929100       1.555400      0.4117000    
 N   -3.513000      0.4093000      0.1353000    
 C   0.6184000     -3.1399999E-02 -0.2527000    
 C    3.094600      0.2727000     -0.5760000    
 C  -0.1513000      -1.160600      1.2700000E-02
 C    3.718700      0.8010000      0.7123000    
 C    1.865700      -1.852100     -0.1003000    
 C   7.9000004E-02   1.247300     -0.3969000    
 C   -1.543500      -1.024700      0.1454000    
 C   -2.107100      0.2497000      4.6000001E-03
 C   -1.308300       1.364100     -0.2618000    
 H    3.797800     -0.3767000      -1.112500    
 H    2.829300       1.089700      -1.256900    
 H    3.013800       1.448300       1.245900    
 H    3.968400     -2.4900001E-02   1.387600    
 H    2.755700      -2.466700     -9.9200003E-02
 H   0.6962000       2.114800     -0.6012000    
 H   -2.139700      -1.907800      0.3525000    
 H   -1.736000       2.358600     -0.3724000    
 H    4.705900       2.322000     -0.2222000    
 H    5.587600      0.9606000     -9.0099998E-02


%chk=000043006-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043006

0 1
O -4.025578 1.649181 0.084080
O -4.292963 -0.574757 0.509479
N 1.919255 -0.573721 -0.435524
N 0.591840 -2.380853 0.083575
N 4.924601 1.636749 0.440055
N -3.560977 0.449880 0.222033
C 0.619613 -0.070953 -0.311844
C 3.147940 0.203908 -0.665833
C -0.201748 -1.212047 0.006641
C 3.713514 0.854003 0.642541
C 1.833876 -1.955282 -0.178918
C 0.082888 1.228995 -0.457177
C -1.589087 -1.060625 0.187984
C -2.106155 0.242580 0.040092
C -1.301258 1.376286 -0.276797
H 3.909854 -0.468269 -1.100922
H 2.940619 0.992238 -1.413287
H 2.932267 1.497121 1.089370
H 3.913302 0.050784 1.376705
H 2.715788 -2.593662 -0.211296
H 0.706558 2.094618 -0.700892
H -2.242841 -1.901410 0.429485
H -1.788104 2.349713 -0.373209
H 4.841017 2.544743 -0.014044
H 5.794678 1.138681 0.259304


