%chk=000075091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075091

0 1
 O   -6.499300     -0.5606000       1.241800    
 N   -5.267900     -0.1732000     -0.6942000    
 N   -6.205900      -2.240100     -0.2954000    
 C    1.398500      0.5526000      0.3272000    
 C    2.600700      8.8000000E-03 -0.4497000    
 C   6.8300001E-02  0.3854000     -0.4131000    
 C    3.907200      0.2679000      0.3052000    
 C   -1.122500      0.9946000      0.3302000    
 C    5.144800     -0.2749000     -0.4152000    
 C   -2.427900      0.7715000     -0.4381000    
 C    6.441900     -8.1500001E-02  0.3734000    
 C   -3.624400       1.354500      0.3196000    
 C    7.631500     -0.7053000     -0.3576000    
 C   -4.934100       1.202100     -0.4468000    
 C    8.917900     -0.5506000      0.4378000    
 C   -6.028900     -0.9512000      0.1749000    
 H    1.335000      4.8700001E-02   1.299600    
 H    1.556900       1.618700      0.5332000    
 H    2.649000      0.4849000      -1.436200    
 H    2.474200      -1.067700     -0.6145000    
 H  -0.1134000     -0.6836000     -0.5797000    
 H   0.1483000      0.8506000      -1.403500    
 H    4.030000       1.346700      0.4627000    
 H    3.843300     -0.1916000       1.299500    
 H  -0.9557000       2.069000      0.4732000    
 H   -1.199700      0.5431000       1.326600    
 H    4.999300      -1.344800     -0.6103000    
 H    5.236200      0.2150000      -1.392500    
 H   -2.355500       1.239400      -1.427400    
 H   -2.572600     -0.3036000     -0.5974000    
 H    6.338600     -0.5408000       1.363900    
 H    6.620500      0.9890000      0.5300000    
 H   -3.709500      0.8620000       1.296300    
 H   -3.451400       2.420300      0.5110000    
 H    7.445100      -1.771500     -0.5320000    
 H    7.754500     -0.2325000      -1.338900    
 H   -4.869600       1.703100      -1.418500    
 H   -5.746900       1.669900      0.1195000    
 H    9.755100      -1.001900     -0.1039000    
 H    9.151100      0.5059000      0.6048000    
 H    8.838500      -1.043400       1.412100    
 H   -4.925700     -0.6034000      -1.548000    
 H   -6.739700      -2.923000      0.2317000    
 H   -5.809000      -2.544300      -1.178100    


%chk=000075091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075091

0 1
O -6.942082 -0.427401 1.019196
N -5.384799 -0.234410 -0.722903
N -6.558640 -2.250114 -0.384885
C 1.445243 0.649740 0.321965
C 2.667493 0.054773 -0.412876
C 0.111545 0.428150 -0.426639
C 4.002387 0.287473 0.330180
C -1.115519 0.977698 0.335043
C 5.219986 -0.339469 -0.385861
C -2.449153 0.775512 -0.419496
C 6.555954 -0.102962 0.354051
C -3.676264 1.274925 0.375714
C 7.770697 -0.745852 -0.353694
C -5.016184 1.149884 -0.387599
C 9.101181 -0.504314 0.391805
C -6.327394 -0.934393 0.030526
H 1.374715 0.200863 1.335003
H 1.602687 1.737927 0.475708
H 2.733627 0.492882 -1.430996
H 2.513129 -1.035782 -0.554059
H -0.028591 -0.658250 -0.609251
H 0.168989 0.906436 -1.427102
H 4.169247 1.378473 0.450959
H 3.927542 -0.129847 1.356367
H -0.970048 2.059798 0.535519
H -1.180539 0.485029 1.327528
H 5.053888 -1.431429 -0.500448
H 5.293037 0.072457 -1.414415
H -2.400547 1.303732 -1.395992
H -2.569807 -0.304597 -0.647896
H 6.480522 -0.505168 1.386270
H 6.729934 0.988648 0.459042
H -3.757783 0.719222 1.330180
H -3.531102 2.343221 0.638589
H 7.595969 -1.836527 -0.456672
H 7.844812 -0.344966 -1.385384
H -4.973333 1.744869 -1.322142
H -5.837749 1.545990 0.233826
H 9.952708 -0.975547 -0.132959
H 9.315124 0.577754 0.479825
H 9.062190 -0.921541 1.415946
H -4.874344 -0.704707 -1.470141
H -7.246246 -2.779894 0.143543
H -6.125679 -2.674083 -1.202176


