%chk=000111167.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111167

0 1
 O   -5.668900       2.539600      0.5824000    
 N    2.882800     -0.9980000      0.6918000    
 N   -2.509100      -1.652700     -0.6642000    
 C    1.525100      -1.164300      0.3492000    
 C    3.855500     -5.4800000E-02  0.3065000    
 C   -1.157200      -1.489700     -0.3252000    
 C   0.6392000      -1.730400       1.265800    
 C    1.067600     -0.7612000     -0.9053000    
 C  -0.7044000      -1.893500      0.9280000    
 C  -0.2760000     -0.9241000      -1.243100    
 C    5.202500     -0.4178000      0.2627000    
 C    3.474300       1.244200     -3.2900002E-02
 C   -3.282400     -0.6559000     -0.3724000    
 C    6.165900      0.5157000     -0.1194000    
 C    4.437600       2.177800     -0.4152000    
 C   -2.729100      0.5557000      0.2774000    
 C   -4.734100     -0.6619000     -0.6611000    
 C    5.783400       1.813500     -0.4585000    
 C   -3.507100       1.594900      0.5873000    
 C   -5.510300      0.3785000     -0.3504000    
 C   -4.955100       1.584700      0.2967000    
 H    3.226900      -1.696200       1.345200    
 H   0.9834000      -2.047400       2.247000    
 H    1.739000     -0.3378000      -1.647200    
 H   -1.386900      -2.336600       1.648400    
 H  -0.6223000     -0.6125000      -2.225000    
 H    5.513200      -1.426300      0.5235000    
 H    2.436500       1.562600      1.2900000E-02
 H    7.213700      0.2322000     -0.1531000    
 H    4.140600       3.189900     -0.6743000    
 H   -1.683000      0.6637000      0.5321000    
 H   -5.150400      -1.543400      -1.136200    
 H    6.533500       2.540800     -0.7548000    
 H   -3.096800       2.478900       1.062700    
 H   -6.572800      0.3656000     -0.5656000    


%chk=000111167-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111167

0 1
O -7.219695 0.633986 1.366653
N 2.973745 -0.542202 0.833352
N -2.367188 -0.460844 -1.065435
C 1.658174 -0.483851 0.351274
C 4.171741 -0.042385 0.257703
C -1.081867 -0.449893 -0.520609
C 0.594262 -0.792316 1.254650
C 1.332160 -0.216424 -1.014536
C -0.741886 -0.763640 0.838871
C -0.002507 -0.230964 -1.434753
C 5.397359 -0.671719 0.613022
C 4.199348 1.093861 -0.597181
C -3.495076 -0.144689 -0.410245
C 6.621740 -0.182002 0.115667
C 5.430157 1.565903 -1.099227
C -3.592337 0.548488 0.883703
C -4.749975 -0.471945 -1.093147
C 6.647361 0.934542 -0.752606
C -4.814590 0.818959 1.452570
C -5.973956 -0.238661 -0.512414
C -6.085854 0.407869 0.811967
H 3.091155 -1.024455 1.727257
H 0.830939 -1.058950 2.292817
H 2.126867 -0.057003 -1.747213
H -1.528549 -1.047136 1.545308
H -0.257412 -0.065609 -2.486266
H 5.384073 -1.551670 1.268327
H 3.275456 1.628820 -0.833750
H 7.555779 -0.679391 0.399005
H 5.437113 2.445330 -1.752749
H -2.672617 0.909821 1.356423
H -4.652890 -0.946114 -2.075659
H 7.597972 1.309760 -1.144996
H -4.902304 1.373620 2.393968
H -6.911897 -0.515297 -1.006051


