%chk=000031012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031012

0 1
 O   0.7969000       1.815000     -9.3199998E-02
 O   -1.897700       1.645400     -0.6493000    
 O   -3.213800     -0.7743000     -0.3706000    
 N    4.532400      -1.140600      1.9600000E-02
 C    2.303700     -0.4380000      0.7728000    
 C    3.204900     -0.7241000     -0.4422000    
 C   0.8280000     -0.5102000      0.4615000    
 C   0.1481000      0.6232000      4.3800000E-02
 C    3.371800      0.4962000      -1.347900    
 C   0.1778000      -1.726600      0.6046000    
 C   -1.215500      0.5387000     -0.2379000    
 C   -1.882400     -0.6783000     -9.8200001E-02
 C   -1.185700      -1.810900      0.3231000    
 C   0.8366000       2.664700       1.050600    
 C   -2.985900       2.074400      0.1657000    
 C   -3.819200      -2.054600     -0.2023000    
 H    2.571000      0.5184000       1.236800    
 H    2.502400      -1.180300       1.560100    
 H    2.791700      -1.547500      -1.036700    
 H    4.104900      0.2976000      -2.138600    
 H    3.712700       1.374300     -0.7884000    
 H    2.431800      0.7472000      -1.847700    
 H   0.7114000      -2.615500      0.9292000    
 H   -1.637400      -2.788400      0.4530000    
 H    4.445700      -1.959200      0.6209000    
 H    4.941200     -0.4074000      0.5982000    
 H    1.657900       3.374900      0.9217000    
 H    1.001200       2.101600       1.975000    
 H  -0.1006000       3.224400       1.125100    
 H   -2.854900       1.788600       1.215300    
 H   -3.926600       1.675000     -0.2237000    
 H   -3.034900       3.166100      0.1140000    
 H   -3.396900      -2.794400     -0.8909000    
 H   -4.877500      -1.946900     -0.4618000    
 H   -3.780100      -2.385400      0.8411000    


%chk=000031012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031012

0 1
O 1.005019 1.789706 0.479454
O -1.794422 1.774157 -0.242585
O -3.171532 -0.638125 -0.323973
N 4.793453 -1.081480 -0.029905
C 2.477395 -0.578743 0.896115
C 3.354375 -0.949989 -0.356842
C 0.983430 -0.598224 0.627081
C 0.246465 0.608832 0.418447
C 3.194312 0.071297 -1.498402
C 0.286602 -1.822052 0.546230
C -1.143437 0.571890 0.107692
C -1.807214 -0.690355 0.025698
C -1.094386 -1.885839 0.258525
C 0.401235 3.043043 0.963535
C -2.980635 2.148181 0.556035
C -3.852900 -1.913683 -0.552703
H 2.788135 0.420769 1.249644
H 2.715811 -1.312172 1.693422
H 3.010416 -1.939634 -0.721743
H 3.799157 -0.238900 -2.367874
H 3.529877 1.074728 -1.172560
H 2.138814 0.161642 -1.805000
H 0.837712 -2.752679 0.726844
H -1.594095 -2.856900 0.206523
H 4.988618 -1.759390 0.716683
H 5.240720 -0.177149 0.164593
H 1.260801 3.692465 1.195902
H -0.192875 2.868999 1.881967
H -0.237557 3.498219 0.191437
H -2.706502 2.276222 1.622738
H -3.770479 1.386212 0.457344
H -3.317716 3.109241 0.137390
H -3.354863 -2.494465 -1.352745
H -4.871061 -1.641883 -0.868753
H -3.899673 -2.520840 0.372489


