%chk=000040397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040397

0 1
 O   0.4039000     -0.6522000       1.209000    
 O   0.3951000     -0.6884000      -1.201200    
 N    3.304700       2.163500     -2.8400000E-02
 C    1.148000     -0.9648000      5.5999998E-03
 C    2.416800     -0.1131000     -1.1800000E-02
 C    1.496000      -2.452600      2.6799999E-02
 C    2.080100       1.373000      7.6000001E-03
 C  -0.7708000     -0.1995000      0.6892000    
 C  -0.7757000     -0.2201000     -0.6867000    
 C   -1.859800      0.2401000       1.412900    
 C   -1.870000      0.1979000      -1.415400    
 C   -2.981500      0.6686000      0.6992000    
 C   -2.986600      0.6477000     -0.7067000    
 H    3.002900     -0.3409000     -0.9116000    
 H    3.036000     -0.3500000      0.8632000    
 H   0.5831000      -3.059300      3.7599999E-02
 H    2.064600      -2.741100     -0.8635000    
 H    2.068500      -2.715100      0.9226000    
 H    1.531300       1.641000      0.9158000    
 H    1.466400       1.652100     -0.8549000    
 H   -1.851600      0.2548000       2.496800    
 H   -1.869700      0.1804000      -2.499200    
 H    3.067300       3.154000     -6.3900001E-02
 H    3.819000       1.962500     -0.8851000    
 H   -3.859100       1.022000       1.233800    
 H   -3.868000      0.9852000      -1.245200    


%chk=000040397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040397

0 1
O 0.409184 -0.455373 1.190761
O 0.381395 -0.539866 -1.215598
N 3.626511 2.137688 -0.080730
C 1.231224 -0.884023 -0.006600
C 2.524997 -0.071169 -0.052339
C 1.408240 -2.399215 0.044661
C 2.316163 1.456937 -0.017969
C -0.874630 -0.135530 0.696745
C -0.891079 -0.185982 -0.715970
C -2.007094 0.216101 1.436608
C -2.041491 0.112771 -1.451577
C -3.187501 0.521112 0.701344
C -3.204363 0.470413 -0.712017
H 3.064656 -0.358614 -0.976614
H 3.162855 -0.361211 0.802388
H 0.423854 -2.896830 0.056643
H 1.969758 -2.745760 -0.839797
H 1.961350 -2.684452 0.955611
H 1.833847 1.724096 0.938669
H 1.615118 1.744458 -0.834255
H -1.981840 0.253865 2.528947
H -2.042627 0.073003 -2.544156
H 3.608504 3.113291 0.229278
H 4.107300 2.034136 -0.980311
H -4.096814 0.797669 1.245041
H -4.126618 0.708186 -1.252263


