%chk=000020810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020810

0 1
 O    4.153900      0.8596000     -0.1645000    
 N   -1.230700      -2.516900     -5.4699998E-02
 N   -3.968400       2.652400     -0.3490000    
 C   -1.843800     -0.4209000      0.3429000    
 C  -0.4313000     -0.4466000      0.1725000    
 C  -7.2400004E-02  -1.773200     -7.5800002E-02
 C   -2.674400      0.7675000      0.6244000    
 C   -2.306500      -1.708600      0.1978000    
 C   0.5795000      0.5346000      0.2056000    
 C   -3.175300       1.466200     -0.6529000    
 C    1.252100      -2.169200     -0.2933000    
 C    1.908700      0.1530000     -1.0100000E-02
 C    2.237500      -1.178700     -0.2557000    
 C    2.958200       1.160000      2.2600001E-02
 C    2.613000       2.620700      0.2900000    
 H   -3.537800      0.4740000       1.236500    
 H   -2.104500       1.481300       1.233200    
 H   -3.303600      -2.123500      0.2503000    
 H   -1.279100      -3.515200     -0.2042000    
 H   0.2947000       1.563500      0.3973000    
 H   -3.786100      0.7726000      -1.242100    
 H   -2.323600       1.757000      -1.279100    
 H    1.508700      -3.205800     -0.4845000    
 H    3.269300      -1.479400     -0.4240000    
 H   -4.228200       3.117100      -1.218000    
 H   -3.400800       3.318500      0.1733000    
 H    2.160700       2.728000       1.279300    
 H    1.952200       3.003100     -0.4921000    
 H    3.533000       3.213900      0.2739000    


%chk=000020810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020810

0 1
O 4.181085 0.858361 -0.227231
N -1.221041 -2.636630 -0.006061
N -3.884486 2.735866 -0.344884
C -1.913294 -0.482209 0.361950
C -0.468265 -0.491595 0.172445
C -0.066447 -1.857890 -0.055876
C -2.790537 0.719779 0.607941
C -2.329969 -1.806992 0.246914
C 0.522021 0.519192 0.184285
C -2.999261 1.597894 -0.656161
C 1.283879 -2.222540 -0.273819
C 1.878224 0.170642 -0.030250
C 2.241787 -1.199587 -0.259271
C 2.972641 1.192594 -0.029493
C 2.618436 2.659928 0.215262
H -3.788830 0.412470 0.968043
H -2.348462 1.352537 1.406057
H -3.332793 -2.222505 0.330196
H -1.256443 -3.647105 -0.120981
H 0.237143 1.561781 0.361532
H -3.486379 0.983601 -1.435882
H -1.999838 1.890925 -1.059890
H 1.576455 -3.263936 -0.447365
H 3.302499 -1.416478 -0.421583
H -4.264806 3.220388 -1.162682
H -3.502737 3.389334 0.346317
H 2.137772 2.794611 1.202203
H 1.915267 3.034202 -0.552048
H 3.541377 3.258358 0.179929


