%chk=000060766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060766

0 1
 O   -4.050700       1.603300     -0.2107000    
 O  -0.6302000      -1.447600     -0.4213000    
 N    1.693400      -1.464400     -0.4297000    
 N    1.639300       1.338600     -0.5473000    
 N   -2.406400      0.2742000      0.5285000    
 N    0.000000       2.821300     -0.4190000    
 N   -2.852200       2.203300     -0.6175000    
 C   -4.726100     -0.4856000       1.072100    
 C   -5.802500      -1.054500      0.1920000    
 C   -4.689600      -1.935200      0.6793000    
 C    2.952900     -0.7357000     -0.1644000    
 C    2.955100      0.7257000     -0.7125000    
 C   0.4929000      0.6021000     -0.4028000    
 C   -3.698100      0.4737000      0.4573000    
 C    1.778200      -2.913600     -0.5814000    
 C   0.4376000     -0.8373000     -0.4060000    
 C    3.272900     -0.8007000       1.316400    
 C    4.033100       1.561900     -5.9700001E-02
 C  -0.5054000       1.549800     -0.3119000    
 C    1.294700       2.657200     -0.5814000    
 C   -1.930100       1.360500     -0.1447000    
 C    3.995500      0.1585000       1.913900    
 C    1.156400      -3.344000      -1.907000    
 C    1.081500      -3.589000      0.5956000    
 C    4.507900       1.277400       1.161900    
 H   -4.996600     -0.2593000       2.097300    
 H   -5.812800     -0.7941000     -0.8595000    
 H   -6.784900      -1.197500      0.6256000    
 H   -4.924300      -2.669600       1.440400    
 H   -3.955500      -2.264600     -4.6200000E-02
 H    3.751900      -1.275500     -0.6916000    
 H    3.122700      0.6933000      -1.797100    
 H    2.832900      -3.212300     -0.5823000    
 H    2.954700      -1.652200       1.906700    
 H    4.424600       2.417700     -0.6021000    
 H    2.011500       3.454300     -0.7236000    
 H    4.244700      9.3900003E-02   2.967100    
 H    1.333500      -4.412100      -2.076000    
 H   7.4900001E-02  -3.188300      -1.951300    
 H    1.606300      -2.795700      -2.742100    
 H    1.425500      -3.202800       1.558600    
 H    1.297000      -4.663800      0.5813000    
 H  -7.7000000E-03  -3.494600      0.5710000    
 H    5.273200       1.893900       1.619800    


%chk=000060766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060766

0 1
O -4.178417 1.620216 -0.601505
O -0.617949 -1.421148 -1.243750
N 1.658278 -1.484250 -0.671706
N 1.662189 1.336039 -0.476020
N -2.589940 0.365814 0.441513
N 0.017668 2.871773 -0.252539
N -2.871514 2.194745 -0.983628
C -5.017972 -0.259904 0.758784
C -4.853852 -1.802786 0.812392
C -4.845329 -0.999988 2.105963
C 2.832640 -0.783950 -0.090155
C 2.976258 0.653435 -0.652378
C 0.454206 0.624987 -0.548657
C -3.896187 0.531031 0.245458
C 1.771218 -2.962019 -0.924413
C 0.429961 -0.827414 -0.838630
C 2.865476 -0.793195 1.439436
C 4.098162 1.407648 0.054545
C -0.554036 1.598233 -0.398721
C 1.352728 2.675858 -0.309866
C -1.999925 1.388557 -0.324508
C 3.645012 0.104876 2.108720
C 1.547260 -3.296540 -2.417766
C 0.847567 -3.789186 0.001752
C 4.387751 1.136520 1.362443
H -6.004423 0.138691 0.511181
H -3.899630 -2.192899 0.448531
H -5.735462 -2.399748 0.563684
H -5.719826 -1.042425 2.760755
H -3.885070 -0.861489 2.609246
H 3.736139 -1.329950 -0.439210
H 3.178017 0.583831 -1.738501
H 2.820358 -3.213532 -0.671276
H 2.297432 -1.574284 1.956493
H 4.621419 2.196065 -0.496850
H 2.103420 3.455070 -0.212956
H 3.730679 0.074154 3.200457
H 1.730867 -4.373137 -2.589003
H 0.511811 -3.063775 -2.712579
H 2.237191 -2.721042 -3.061235
H 1.045979 -3.570200 1.066798
H 1.025326 -4.867169 -0.166891
H -0.209155 -3.564994 -0.212381
H 5.165374 1.708080 1.882674


