%chk=000126235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126235

0 1
 O   -2.528200      -1.747100      0.3579000    
 O   -3.394400      0.2079000     -0.7537000    
 O   0.6918000       2.653800     -4.3900002E-02
 N    2.638800      -1.469400     -0.1031000    
 C    2.899600     -8.3600000E-02  0.2970000    
 C    1.814200      0.3939000       1.289000    
 C   0.4297000      0.3923000      0.7274000    
 C    2.954100      0.7790000     -0.9641000    
 C  -0.3530000     -0.7574000      0.8567000    
 C  -7.5599998E-02   1.533000      7.8900002E-02
 C   -1.627000     -0.7277000      0.3279000    
 C   -2.121600      0.3888000     -0.3069000    
 C   -1.369500       1.536800     -0.4479000    
 C   -3.645600      -1.147200     -0.3289000    
 C    3.686600      -1.953000     -0.9865000    
 H    3.865100     -2.1000000E-02  0.8156000    
 H    2.072400       1.397100       1.652700    
 H    1.842100     -0.2375000       2.188400    
 H   1.6100001E-02  -1.645800       1.357800    
 H    3.005000       1.840000     -0.6977000    
 H    2.092300      0.6285000      -1.623100    
 H    3.859700      0.5873000      -1.550300    
 H    2.609500      -2.054200      0.7322000    
 H   -1.775300       2.407700     -0.9512000    
 H   -3.881800      -1.753500      -1.210900    
 H   -4.512300      -1.149700      0.3421000    
 H    3.583100      -3.038600      -1.091900    
 H    4.689800      -1.763100     -0.5903000    
 H    3.602400      -1.544800      -1.998000    
 H   0.1851000       3.334400     -0.5191000    


%chk=000126235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126235

0 1
O -2.290240 -1.754184 -0.397941
O -3.645952 0.213962 -0.190346
O 0.293124 3.010202 1.017416
N 2.869068 -1.496643 0.263585
C 2.961416 -0.044463 -0.065033
C 1.983707 0.770226 0.827532
C 0.493011 0.649363 0.529974
C 2.734147 0.204367 -1.571475
C -0.104835 -0.593665 0.164278
C -0.339163 1.797623 0.647777
C -1.478294 -0.623626 -0.072958
C -2.282309 0.525311 0.050619
C -1.744231 1.759524 0.415904
C -3.614255 -1.177985 -0.724954
C 3.912291 -2.351061 -0.340759
H 3.988191 0.336287 0.182050
H 2.264817 1.835485 0.758536
H 2.169392 0.484071 1.887049
H 0.537310 -1.474796 0.065997
H 2.726979 1.290308 -1.776751
H 1.767914 -0.217857 -1.895249
H 3.535250 -0.248371 -2.182660
H 2.837891 -1.621289 1.286078
H -2.376046 2.648015 0.518296
H -3.735481 -1.135736 -1.825424
H -4.398642 -1.767281 -0.226761
H 3.851543 -3.364961 0.092784
H 4.952014 -1.968183 -0.189749
H 3.746272 -2.448132 -1.427830
H -0.361790 3.750390 1.036115


