%chk=000076757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076757

0 1
 O   -4.533100     -0.5416000      -2.313000    
 O   -4.531900     -0.5453000       2.313100    
 N   -2.627100      0.1515000       1.199900    
 N   -2.627700      0.1534000      -1.199600    
 N   -4.579200     -0.5611000       0.000000    
 C    1.703900      0.5588000      1.9999999E-04
 C    2.838800     -0.2896000     -3.0000001E-04
 C   0.4042000      6.9999998E-04 -3.0000001E-04
 C    1.871100       1.963200      1.3000000E-03
 C    2.671600      -1.694100     -1.4000000E-03
 C    4.138500      0.2684000      1.9999999E-04
 C  -0.7091000      0.8538000      1.9999999E-04
 C   0.2580000      -1.393000     -1.4000000E-03
 C    1.376300      -2.229000     -1.9000000E-03
 C    3.166400       2.498100      1.8000000E-03
 C    4.284700       1.662100      1.3000000E-03
 C   0.7378000       2.789500      1.8000000E-03
 C  -0.5421000       2.237600      1.3000000E-03
 C    3.804900      -2.520300     -1.8000000E-03
 C    5.251700     -0.5846000     -3.9999999E-04
 C    5.084800      -1.968500     -1.4000000E-03
 C   -2.074500      0.3545000      9.9999997E-05
 C   -3.886800     -0.3068000      -1.122000    
 C   -3.886200     -0.3086000       1.122100    
 C   -3.798300     -0.2717000      -3.498300    
 C   -3.796500     -0.2775000       3.498500    
 H  -0.7194000      -1.869800     -1.8000000E-03
 H    1.223500      -3.306400     -2.7000001E-03
 H    3.319600       3.575500      2.6000000E-03
 H    5.274600       2.114100      1.7000000E-03
 H   0.8422000       3.872400      2.7000001E-03
 H   -1.400700       2.905900      1.8000000E-03
 H    3.700700      -3.603200     -2.6000000E-03
 H    6.260900     -0.1781000       0.000000    
 H    5.955000      -2.618800     -1.8000000E-03
 H   -3.527500      0.7877000      -3.561400    
 H   -4.439900     -0.5056000      -4.353200    
 H   -2.907900     -0.9062000      -3.563000    
 H   -2.906000     -0.9122000       3.561500    
 H   -4.437500     -0.5128000       4.353200    
 H   -3.525600      0.7818000       3.563200    


%chk=000076757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076757

0 1
O -4.650142 -0.568896 -2.298831
O -4.649495 -0.572749 2.298723
N -2.684622 0.151444 1.209925
N -2.684986 0.153540 -1.209373
N -4.674322 -0.580107 -0.000059
C 1.766157 0.584959 0.000311
C 2.912689 -0.282891 -0.000361
C 0.434536 0.026263 -0.000024
C 1.951183 2.015871 0.001320
C 2.738061 -1.714697 -0.001391
C 4.244537 0.274362 -0.000013
C -0.686097 0.909532 0.000643
C 0.288963 -1.415702 -0.001052
C 1.392580 -2.247824 -0.001711
C 3.297176 2.549910 0.001656
C 4.398355 1.714275 0.001019
C 0.808220 2.857813 0.001940
C -0.488586 2.308976 0.001595
C 3.883864 -2.555349 -0.002052
C 5.363130 -0.602227 -0.000695
C 5.181776 -2.001710 -0.001707
C -2.084562 0.371905 0.000371
C -3.973330 -0.320072 -1.136552
C -3.972992 -0.322014 1.136673
C -3.934266 -0.305903 -3.570256
C -3.933274 -0.311835 3.570382
H -0.719444 -1.842188 -0.001304
H 1.265770 -3.336924 -0.002487
H 3.423854 3.638889 0.002425
H 5.413267 2.129040 0.001275
H 0.941906 3.945519 0.002689
H -1.360824 2.971093 0.002079
H 3.749010 -3.643251 -0.002833
H 6.374187 -0.178380 -0.000432
H 6.054984 -2.663084 -0.002225
H -3.648395 0.756518 -3.639986
H -4.664522 -0.576275 -4.345368
H -3.026221 -0.927297 -3.638346
H -3.025220 -0.933350 3.637225
H -4.663327 -0.583455 4.345251
H -3.647377 0.750470 3.641755


