%chk=000058860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058860

0 1
 O    3.918000     -0.5354000      0.3410000    
 O    3.077500       2.091600      9.0599999E-02
 O    2.043000      -2.572700      0.4257000    
 N   -1.509000      0.6435000      6.5000001E-03
 N   -2.421500     -0.3448000      4.7400001E-02
 N   -5.243400      -2.093600      6.2500000E-02
 N   -4.484100       2.419300     -0.2690000    
 C    2.587900     -0.2465000      0.2598000    
 C    2.168400       1.077700      0.1331000    
 C    1.646800      -1.275100      0.3021000    
 C  -0.1333000      0.3448000      9.1100000E-02
 C   0.8078000       1.373400      4.8900001E-02
 C   0.2862000     -0.9796000      0.2177000    
 C    4.733400     -0.1435000     -0.7608000    
 C    2.565200       3.416200     -4.0100001E-02
 C    2.287500      -3.293400     -0.7805000    
 C   -3.672300     -3.3000000E-02 -3.2900002E-02
 C   -4.539400      -1.172000      2.0600000E-02
 C   -4.118700       1.323100     -0.1639000    
 H   0.4225000       2.383000     -5.0400000E-02
 H  -0.4247000      -1.801400      0.2545000    
 H   -1.772400       1.617200     -8.5900001E-02
 H    5.202500      0.8227000     -0.5551000    
 H    4.169500     -0.1021000      -1.699300    
 H    5.527300     -0.8878000     -0.8733000    
 H    2.035500       3.552600     -0.9891000    
 H    1.955300       3.700700      0.8241000    
 H    3.425600       4.093400     -5.7500001E-02
 H    3.087100      -2.820100      -1.358700    
 H    1.375000      -3.354700      -1.381800    
 H    2.600700      -4.307100     -0.5162000    


%chk=000058860-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058860

0 1
O 3.815085 -0.673823 0.022010
O 3.025669 1.980655 -0.059984
O 1.731977 -2.749968 -0.023978
N -1.684736 0.636221 0.025528
N -2.649069 -0.288951 0.053533
N -5.828445 -1.717031 0.141018
N -4.523885 2.678390 0.103977
C 2.453744 -0.342647 -0.085087
C 2.007020 1.017592 -0.072288
C 1.473952 -1.382004 -0.059930
C -0.308774 0.276843 -0.011002
C 0.634126 1.335847 -0.045917
C 0.093876 -1.067224 -0.016345
C 4.715323 -0.205239 -1.056607
C 2.634737 3.387068 0.079589
C 3.018607 -3.317071 -0.469472
C -3.939648 0.109542 0.089067
C -4.959747 -0.893771 0.117257
C -4.316824 1.496574 0.098734
H 0.296094 2.376823 -0.037347
H -0.636250 -1.877866 0.003782
H -1.916046 1.644687 0.029713
H 4.712018 0.894831 -1.113614
H 4.410866 -0.641294 -2.028611
H 5.713158 -0.573547 -0.774239
H 2.039490 3.728133 -0.789511
H 2.065366 3.550015 1.014435
H 3.582214 3.943477 0.120186
H 3.826689 -3.073062 0.236171
H 3.283309 -2.954776 -1.480655
H 2.834002 -4.402023 -0.499312


