%chk=000036460.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036460

0 1
 O   0.8079000     -0.3364000       1.738000    
 O    1.613700       2.055200      0.1528000    
 O    3.295800     -0.3255000      0.8041000    
 N  -0.6892000       1.839000     -0.2581000    
 C   0.4769000     -0.1215000      0.3801000    
 C  -0.9882000     -0.3812000      0.1617000    
 C    1.378700     -0.9364000     -0.5351000    
 C   -1.617800      0.8051000     -0.2108000    
 C   0.5921000       1.389100      8.1699997E-02
 C   -1.714800      -1.551900      0.2803000    
 C   -2.970000      0.8782000     -0.4783000    
 C    2.850600     -0.6669000     -0.2905000    
 C   -3.087000      -1.505100      1.4400000E-02
 C   -3.708900     -0.3004000     -0.3616000    
 C    3.760500     -0.8415000      -1.478700    
 H    1.153200     -0.7141000      -1.585400    
 H    1.231600      -2.011600     -0.3778000    
 H  -0.9242000       2.793800     -0.5026000    
 H   -1.241300      -2.482900      0.5717000    
 H   -3.446800       1.807900     -0.7669000    
 H    1.708000     -7.6000001E-03   1.897400    
 H   -3.682500      -2.410300      9.9799998E-02
 H   -4.776900     -0.2894000     -0.5626000    
 H    3.501600     -0.1106000      -2.248700    
 H    4.798800     -0.6834000      -1.174300    
 H    3.659700      -1.856600      -1.870800    


%chk=000036460-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036460

0 1
O 0.785621 -0.321191 1.790145
O 1.736722 1.962241 -0.184372
O 3.337898 -0.797132 0.936323
N -0.614605 1.802754 -0.425302
C 0.479201 -0.170996 0.372919
C -1.009403 -0.403168 0.160431
C 1.401091 -1.073734 -0.506908
C -1.612797 0.797325 -0.297346
C 0.654387 1.326297 -0.094120
C -1.792889 -1.540801 0.389463
C -2.991362 0.888045 -0.552714
C 2.892344 -0.797972 -0.251355
C -3.188839 -1.474415 0.135764
C -3.774268 -0.274151 -0.331060
C 3.790334 -0.542268 -1.439086
H 1.150409 -0.951239 -1.574430
H 1.197730 -2.126618 -0.227321
H -0.783222 2.761835 -0.730305
H -1.340082 -2.459769 0.776667
H -3.454364 1.816603 -0.903062
H 1.785032 -0.425329 1.869666
H -3.817831 -2.353503 0.309847
H -4.852929 -0.235745 -0.519536
H 3.534072 0.453905 -1.850498
H 4.847670 -0.541325 -1.133397
H 3.621579 -1.284651 -2.240610


