%chk=000048173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048173

0 1
 O   9.4200000E-02  0.4217000       2.375700    
 O   7.6800004E-02  0.3218000      -2.428400    
 O  -0.4180000      -3.496600      5.5799998E-02
 N  -0.1630000      -1.515000       1.185800    
 N  -0.1688000      -1.564200      -1.157600    
 C   7.8800000E-02  0.6115000     -3.0999999E-02
 C    1.373800       1.434500     -5.6899998E-02
 C    2.596300      0.5310000      2.4499999E-02
 C   1.2400000E-02 -0.1459000       1.284300    
 C   4.1000000E-03 -0.2002000      -1.314000    
 C   -1.126800       1.509100     -4.0199999E-02
 C    3.878400       1.347900      2.3700001E-02
 C  -0.2619000      -2.274400      2.9899999E-02
 C   -2.389500       1.063800      2.8300000E-02
 C   -3.586900       1.955100      2.0000000E-02
 H    1.395800       2.141700      0.7839000    
 H    1.432100       2.042700     -0.9698000    
 H    2.627900     -0.1612000     -0.8242000    
 H    2.582900     -7.5499997E-02  0.9364000    
 H  -0.9579000       2.581800     -0.1093000    
 H  -0.2207000      -2.024200       2.063400    
 H  -0.2313000      -2.109800      -2.012700    
 H    3.964300       1.944000     -0.8904000    
 H    3.913100       2.026600      0.8819000    
 H    4.749100      0.6868000      7.9700001E-02
 H   -2.590600     -2.0000001E-03  9.3199998E-02
 H   -4.166000       1.809000      0.9369000    
 H   -3.316900       3.013700     -4.7699999E-02
 H   -4.226700       1.711200     -0.8336000    


%chk=000048173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048173

0 1
O -0.037394 0.023214 2.264374
O 0.483605 0.078858 -2.569996
O -0.526539 -3.831669 -0.273292
N -0.323585 -1.851360 0.952842
N -0.039017 -1.836698 -1.390997
C 0.035716 0.370650 -0.169899
C 1.253264 1.349232 -0.025380
C 2.626955 0.650607 0.086302
C -0.093626 -0.470918 1.108425
C 0.199515 -0.452856 -1.466543
C -1.250268 1.203386 -0.387104
C 3.771193 1.676867 0.232772
C -0.318467 -2.594113 -0.240454
C -2.214453 1.471668 0.528620
C -3.418087 2.342470 0.251440
H 1.064135 1.961636 0.874483
H 1.245176 2.019305 -0.904480
H 2.807599 0.030300 -0.814100
H 2.632783 -0.029713 0.961257
H -1.312790 1.627267 -1.399653
H -0.474621 -2.393644 1.810082
H 0.003256 -2.364085 -2.269435
H 3.805721 2.356659 -0.638822
H 3.635153 2.294857 1.139705
H 4.752505 1.174755 0.309409
H -2.131355 1.065586 1.546313
H -3.441050 3.211328 0.937277
H -3.422997 2.720492 -0.785569
H -4.357327 1.780815 0.420021


