%chk=000040636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040636

0 1
 O    1.401900      0.4904000     -0.4109000    
 O  -0.9150000      -1.695100       2.165000    
 O    1.014600       1.512900       1.626000    
 N  -0.6423000     -0.5595000      0.4104000    
 N   -1.183300      -1.629200      0.9596000    
 C   0.7741000     -0.7514000      7.8999996E-03
 C   -1.414700     -2.8700000E-02 -0.7239000    
 C   0.9386000      -1.784800      -1.130400    
 C   -2.565700      0.8638000     -0.2756000    
 C    2.388500      -2.029000      -1.522700    
 C   -3.383500       1.399800      -1.442100    
 C    1.450500       1.518200      0.4830000    
 C    2.136300       2.692600     -0.1464000    
 H    1.355800      -1.104200      0.8719000    
 H   -1.797500     -0.8401000      -1.359700    
 H  -0.7899000      0.5923000      -1.379100    
 H   0.4952000      -2.745600     -0.8442000    
 H   0.4225000      -1.441900      -2.034900    
 H   -3.238400      0.3090000      0.3898000    
 H   -2.174100       1.710700      0.3013000    
 H    2.857000      -1.117900      -1.907400    
 H    2.970500      -2.379800     -0.6646000    
 H    2.445300      -2.791600      -2.305900    
 H   -3.823700      0.5809000      -2.019900    
 H   -4.196800       2.034000      -1.075800    
 H   -2.760700       1.999100      -2.113700    
 H    1.576000       3.021100      -1.025500    
 H    2.173800       3.517700      0.5707000    
 H    3.159200       2.422000     -0.4199000    


%chk=000040636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040636

0 1
O 1.044792 0.469155 -0.538700
O -0.653570 -2.187435 1.897593
O 1.507375 1.060077 1.681501
N -0.828404 -0.927944 0.030541
N -1.449506 -1.578688 1.091486
C 0.642474 -0.899485 -0.118126
C -1.751099 -0.257728 -0.913324
C 1.158187 -1.880022 -1.181596
C -2.307769 1.080664 -0.375280
C 2.698482 -1.915064 -1.245821
C -3.303461 1.716519 -1.367660
C 1.451622 1.369968 0.476126
C 1.787460 2.710246 -0.137333
H 1.059466 -1.125134 0.882461
H -2.587214 -0.949731 -1.121365
H -1.200456 -0.088297 -1.854841
H 0.763873 -2.880126 -0.919022
H 0.737395 -1.608822 -2.168825
H -2.802105 0.888624 0.595238
H -1.468186 1.774019 -0.179959
H 3.105026 -0.926760 -1.522030
H 3.130188 -2.205143 -0.270243
H 3.039931 -2.648837 -1.997193
H -4.162153 1.045260 -1.556441
H -3.702794 2.666745 -0.970831
H -2.822743 1.932811 -2.340501
H 0.872231 3.177801 -0.542772
H 2.224050 3.368564 0.627194
H 2.491108 2.584466 -0.977275


