%chk=000138746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138746

0 1
 O   -4.733600      7.1000000E-03  -1.363200    
 O    4.730200      8.2000000E-03  -1.364800    
 N   -3.587900       2.229700     -7.1400002E-02
 N    3.584100       2.230600     -7.2700001E-02
 C  -1.2000001E-03 -0.6788000       1.635200    
 C   -1.251200     -0.4914000      0.8437000    
 C    1.269600     -0.4885000      0.8317000    
 C   -1.836500      0.7714000      0.7521000    
 C    1.834100      0.7716000      0.7524000    
 C   -1.835300      -1.579600      0.1954000    
 C    1.833900      -1.579600      0.1967000    
 C   -3.006100      0.9461000      1.2200000E-02
 C    3.003500      0.9466000      1.2300000E-02
 C   -3.004700      -1.404900     -0.5446000    
 C    3.003300      -1.404800     -0.5433000    
 C   -3.590200     -0.1421000     -0.6361000    
 C    3.588100     -0.1417000     -0.6357000    
 H   4.3000001E-03  6.0000001E-03   2.494900    
 H   4.3000001E-03  -1.676800       2.095800    
 H   -1.382100       1.620300       1.258200    
 H    1.376300       1.617300       1.259000    
 H   -1.390500      -2.569100      0.2590000    
 H    1.386400      -2.566900      0.2629000    
 H   -3.448800      -2.261800      -1.044200    
 H    3.447600      -2.261600      -1.042800    
 H   -3.158000       3.014000      0.4004000    
 H   -4.435300       2.363500     -0.6069000    
 H    3.154600       3.014500      0.4002000    
 H    4.432200       2.364500     -0.6072000    
 H   -4.987200     -0.8542000      -1.736900    
 H    4.984100     -0.8532000      -1.738200    


%chk=000138746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138746

0 1
O -4.784407 0.165053 -1.399322
O 4.792431 0.143006 -1.390978
N -3.645246 2.224103 -0.094339
N 3.613404 2.222642 -0.156268
C -0.000743 -0.738167 1.717239
C -1.281596 -0.534895 0.902728
C 1.283168 -0.540317 0.905948
C -1.869824 0.750184 0.801470
C 1.853342 0.749816 0.770886
C -1.882796 -1.621250 0.222956
C 1.905169 -1.637324 0.263143
C -3.037028 0.977108 0.027761
C 3.022759 0.970936 -0.000980
C -3.049889 -1.418143 -0.553528
C 3.075137 -1.440041 -0.510827
C -3.615847 -0.136658 -0.650855
C 3.622937 -0.153817 -0.642127
H -0.000831 -0.039073 2.575653
H -0.002686 -1.760942 2.138632
H -1.414614 1.596947 1.331919
H 1.381019 1.605327 1.271365
H -1.444260 -2.622649 0.293003
H 1.481797 -2.642909 0.361058
H -3.515646 -2.263478 -1.078164
H 3.557335 -2.293533 -1.006619
H -3.256480 3.043890 0.359134
H -4.480456 2.310003 -0.666696
H 3.207631 3.050105 0.267398
H 4.450990 2.304035 -0.725799
H -5.122553 -0.641760 -1.857218
H 5.145783 -0.671798 -1.822473


