%chk=000126810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126810

0 1
 O   0.6054000       2.883800      0.8071000    
 O    2.841100      -2.005300      0.6650000    
 O    3.010000     -0.2956000      -1.533900    
 N   0.6043000      -1.449700      0.5460000    
 C  -0.4889000     -0.6052000      0.2571000    
 C  -0.4183000      0.7879000      6.6600002E-02
 C   -2.898000     -0.5623000     -0.1411000    
 C   -1.736800      -1.256200      0.1879000    
 C   -1.608100       1.462300     -0.2902000    
 C   0.7951000       1.611400      0.2812000    
 C   -2.830800      0.7978000     -0.3967000    
 C    2.042700       1.247100     -2.3800001E-02
 C   -4.205700      -1.274800     -0.2044000    
 C    1.941700      -1.251900      0.3090000    
 C    2.346600     -8.9400001E-02 -0.5301000    
 H   -1.797800      -2.328200      0.3719000    
 H   -1.599800       2.536400     -0.4708000    
 H   -3.721900       1.362100     -0.6578000    
 H   0.3655000      -2.367900      0.9136000    
 H    2.881400       1.928600      7.1400002E-02
 H   -4.901800     -0.7698000     -0.8828000    
 H   -4.078700      -2.296300     -0.5788000    
 H   -4.659000      -1.318300      0.7910000    
 H    1.469200       3.322500      0.8932000    


%chk=000126810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126810

0 1
O 0.494998 2.991100 -0.013908
O 2.648086 -2.494940 0.159925
O 4.032868 -0.121038 0.166601
N 0.604806 -1.482289 0.080713
C -0.499127 -0.608831 0.033651
C -0.457837 0.821404 0.006923
C -2.985154 -0.563935 -0.034540
C -1.768176 -1.263933 0.011683
C -1.704312 1.521432 -0.040141
C 0.771046 1.614828 0.024366
C -2.934901 0.859769 -0.060441
C 2.101161 1.229555 0.071437
C -4.312656 -1.294884 -0.055776
C 2.013447 -1.406006 0.122124
C 2.763729 -0.064045 0.121791
H -1.787698 -2.361493 0.032141
H -1.667618 2.612419 -0.060014
H -3.865678 1.436302 -0.096167
H 0.337820 -2.475994 0.090294
H 2.847042 2.039841 0.075725
H -4.892632 -1.036699 -0.961427
H -4.180612 -2.389649 -0.038656
H -4.933176 -1.013916 0.815572
H 1.331973 3.520002 -0.001278


