%chk=000162056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162056

0 1
 O   -3.789900      -2.775800      0.1832000    
 N    1.294400     -0.1227000     -0.4364000    
 N   -2.880700     -0.5920000      7.2200000E-02
 C   -1.498200     -0.9611000     -0.1418000    
 C  -0.9541000     -0.4098000      -1.474900    
 C   0.8561000     -0.7134000      0.8396000    
 C  -0.6472000     -0.4515000       1.028200    
 C   0.5641000     -0.6461000      -1.595200    
 C    2.737700     -0.2122000     -0.6412000    
 C   -1.660000      -1.030500      -2.685900    
 C    1.186000      -2.202000       1.026900    
 C    3.497300      0.3772000      0.5479000    
 C   -3.220700      0.8263000      0.1411000    
 C   -3.926200      -1.550200      0.2189000    
 C    4.989300      0.3113000      0.3390000    
 C   -5.323500     -0.9609000      0.3895000    
 C   -3.187000       1.426100       1.365300    
 C   -3.548300       1.455900      -1.023300    
 C   -6.396400      -2.026300      0.5564000    
 C    5.688000     -0.8072000      0.7677000    
 C    5.638000       1.369900     -0.2787000    
 C   -3.511400       2.781000       1.431400    
 C   -3.872600       2.810900     -0.9573000    
 C   -3.854100       3.473500      0.2702000    
 C    7.068100     -0.8683000      0.5745000    
 C    7.018000       1.308600     -0.4720000    
 C    7.733100      0.1894000     -4.5400001E-02
 H   -1.437600      -2.056000     -0.1647000    
 H   -1.095400      0.6764000      -1.522100    
 H    1.310400     -0.1718000       1.676300    
 H  -0.7504000      0.6338000       1.143400    
 H  -0.9951000     -0.8976000       1.968900    
 H   0.7729000      -1.713500      -1.741700    
 H   0.9122000     -0.1347000      -2.502500    
 H    3.007800      0.3537000      -1.542800    
 H    3.053900      -1.247700     -0.8226000    
 H   -2.746200     -0.9292000      -2.641700    
 H   -1.318300     -0.5578000      -3.613000    
 H   -1.439100      -2.101500      -2.757500    
 H    2.265800      -2.378600       1.039400    
 H   0.7944000      -2.558700       1.986300    
 H   0.7519000      -2.831100      0.2445000    
 H    3.298400     -0.1536000       1.484700    
 H    3.195900       1.419400      0.7181000    
 H   -5.575800     -0.3635000     -0.4920000    
 H   -5.345900     -0.3233000       1.278400    
 H   -2.936800      0.8885000       2.273800    
 H   -3.593800      0.9535000      -1.980600    
 H   -7.379000      -1.560700      0.6807000    
 H   -6.199500      -2.648700       1.435700    
 H   -6.438500      -2.683100     -0.3188000    
 H    5.179500      -1.637800       1.248800    
 H    5.089600       2.244900     -0.6160000    
 H   -3.500900       3.295900       2.387700    
 H   -4.145600       3.348800      -1.860400    
 H   -4.108900       4.528000      0.3220000    
 H    7.624800      -1.740000      0.9058000    
 H    7.535900       2.131800     -0.9553000    
 H    8.807600      0.1416000     -0.1963000    


%chk=000162056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162056

0 1
O -3.621021 -2.713472 0.037268
N 1.348935 -0.343344 -0.275471
N -2.968015 -0.473059 0.070647
C -1.524686 -0.867870 -0.039958
C -0.893336 -0.493275 -1.408978
C 0.794046 -0.726080 1.058108
C -0.688413 -0.278820 1.118645
C 0.593609 -0.928372 -1.408282
C 2.813388 -0.496845 -0.429826
C -1.636681 -1.140315 -2.595816
C 0.978400 -2.224491 1.441718
C 3.627902 0.374529 0.564831
C -3.310362 0.927176 0.218010
C -3.941246 -1.485944 0.108226
C 5.111340 0.357149 0.228659
C -5.405007 -1.037660 0.235416
C -3.552109 1.464564 1.507369
C -3.398770 1.772565 -0.916339
C -6.388546 -2.173092 -0.102678
C 5.962741 -0.654673 0.743750
C 5.669207 1.326314 -0.645301
C -3.883090 2.828764 1.660987
C -3.724580 3.138755 -0.760044
C -3.968917 3.670478 0.527219
C 7.332057 -0.699231 0.396417
C 7.037856 1.287585 -0.995046
C 7.875075 0.272675 -0.475739
H -1.551075 -1.971553 0.038176
H -0.904953 0.611370 -1.510248
H 1.336604 -0.124544 1.812607
H -0.715423 0.826063 1.070941
H -1.125186 -0.590220 2.087088
H 0.639995 -2.048073 -1.426462
H 1.066021 -0.578657 -2.346315
H 3.069568 -0.172901 -1.457210
H 3.156417 -1.558733 -0.342410
H -2.699681 -0.840805 -2.620554
H -1.176524 -0.849399 -3.558848
H -1.613073 -2.243427 -2.521372
H 2.045781 -2.512336 1.428500
H 0.596976 -2.400818 2.464322
H 0.435887 -2.905398 0.762936
H 3.477064 0.005792 1.597349
H 3.224597 1.403402 0.518250
H -5.584272 -0.154924 -0.406459
H -5.575228 -0.688467 1.273916
H -3.473406 0.807809 2.380924
H -3.226103 1.354890 -1.913377
H -7.429556 -1.843739 0.067682
H -6.186727 -3.060645 0.519368
H -6.287759 -2.484884 -1.156890
H 5.550197 -1.407661 1.427432
H 5.026155 2.119015 -1.048306
H -4.069240 3.234248 2.661666
H -3.792448 3.784746 -1.642444
H -4.224022 4.729263 0.645905
H 7.974707 -1.486505 0.807176
H 7.451708 2.048404 -1.666970
H 8.937221 0.242175 -0.743764


