%chk=000040558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040558

0 1
 O    1.040200     -0.9880000       1.590400    
 O   -1.047000      0.9685000       1.598600    
 O    1.418700       1.817700     -0.7292000    
 O   -1.415400      -1.815800     -0.7493000    
 N    3.502000     -4.3499999E-02 -0.6607000    
 N   -3.501500      5.0999999E-02 -0.6641000    
 N    4.700500     -0.3527000     -0.7660000    
 N   -4.698700      0.3675000     -0.7619000    
 N    5.798600     -0.6423000     -0.8723000    
 N   -5.795700      0.6639000     -0.8613000    
 C   0.7509000     -0.1677000      0.4589000    
 C  -0.7522000      0.1601000      0.4599000    
 C    1.660100       1.079700      0.4749000    
 C   -1.660000      -1.088400      0.4607000    
 C    3.154500      0.7602000      0.5182000    
 C   -3.154900     -0.7701000      0.5032000    
 H   0.9658000     -0.7620000     -0.4368000    
 H  -0.9719000      0.7606000     -0.4296000    
 H    1.429000       1.723000       1.331900    
 H   -1.421500      -1.741700       1.306900    
 H    3.409200      0.2221000       1.438400    
 H    3.727300       1.695800      0.4949000    
 H   -3.412200     -0.2460000       1.430800    
 H   -3.727100      -1.705600      0.4649000    
 H   0.9517000     -0.4394000       2.387900    
 H  -0.9563000      0.4128000       2.391200    
 H   0.5671000       2.274900     -0.6279000    
 H   -1.662200      -1.242500      -1.495200    


%chk=000040558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040558

0 1
O 0.271738 0.070401 2.913634
O -0.942618 1.447536 1.046749
O 1.775856 2.009930 1.020859
O -1.084791 -2.274617 0.428730
N 2.098489 0.190473 -1.308403
N -2.435012 -0.811091 -1.435853
N 2.100879 1.325729 -1.878530
N -3.231353 -0.476537 -2.357874
N 2.002980 2.277479 -2.579909
N -3.853684 -0.222777 -3.336220
C 0.764214 -0.237703 1.544778
C -0.458185 0.095785 0.662893
C 2.032367 0.587371 1.213119
C -1.586543 -0.954247 0.823835
C 2.824630 0.047584 -0.010462
C -2.830071 -0.578487 0.000076
H 0.989293 -1.318348 1.462184
H -0.164290 0.165722 -0.396172
H 2.726422 0.489511 2.080764
H -1.856132 -1.044516 1.890604
H 3.021673 -1.032552 0.102420
H 3.791429 0.585221 -0.048491
H -3.098188 0.479895 0.176507
H -3.677413 -1.237703 0.268147
H 1.023789 0.085410 3.554698
H -0.967869 1.434147 2.046552
H 0.785378 2.156878 0.939470
H -1.123988 -2.308394 -0.566706


