%chk=000058045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058045

0 1
 O   -2.240300     -0.6860000     -3.1300001E-02
 O   -2.144100       1.627300      7.9300001E-02
 O   -6.187000     -0.5648000     -5.0400000E-02
 N    5.255400      0.6274000      7.5199999E-02
 N    3.307900     -0.7908000     -2.4999999E-03
 N   -4.219700      0.5896000      1.7000001E-02
 N   -4.958700     -0.7002000     -4.9600001E-02
 C    1.903000     -0.7644000     -9.8000001E-03
 C  -0.8795000     -0.7126000     -2.4400000E-02
 C    1.219900     -0.6954000      -1.220100    
 C    1.205000     -0.8076000       1.193300    
 C  -0.1747000     -0.6695000      -1.227400    
 C  -0.1897000     -0.7818000       1.185900    
 C    3.898000      0.3618000      5.4499999E-02
 C    6.232600     -0.4511000      2.9200001E-02
 C    5.763000       1.978600     -0.1174000    
 C   -2.824000      0.6031000      2.6000001E-02
 C   -4.967100       1.836400      7.2400004E-02
 H    1.760900     -0.6622000      -2.161900    
 H    1.734400     -0.8622000       2.140700    
 H  -0.7061000     -0.6159000      -2.173700    
 H  -0.7326000     -0.8160000       2.126500    
 H    3.305100       1.295700      7.5599998E-02
 H    6.345400     -0.8120000     -0.9981000    
 H    5.921000      -1.288700      0.6622000    
 H    7.212700     -0.1205000      0.3885000    
 H    6.740000       2.108400      0.3596000    
 H    5.087000       2.720400      0.3209000    
 H    5.866100       2.191200      -1.186100    
 H   -4.301300       2.702300      0.1183000    
 H   -5.599700       1.834200      0.9652000    
 H   -5.588700       1.920300     -0.8241000    


%chk=000058045-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058045

0 1
O -2.289362 -0.076452 -0.407281
O -2.854194 1.492089 1.263935
O -6.017951 -0.596918 -1.316612
N 5.545565 0.422687 0.065312
N 3.369369 -0.419772 -0.318642
N -4.501058 0.434493 -0.029671
N -4.768635 -0.482031 -1.091476
C 1.968089 -0.255098 -0.281654
C -0.857469 -0.057242 -0.279532
C 1.182293 -1.011361 -1.200692
C 1.287451 0.578056 0.656008
C -0.218000 -0.910273 -1.206827
C -0.119549 0.688432 0.665887
C 4.179934 0.578728 -0.046625
C 6.167971 -0.901375 -0.071843
C 6.433333 1.575235 0.246915
C -3.146673 0.682987 0.352644
C -5.604055 1.124685 0.666735
H 1.698780 -1.670071 -1.905047
H 1.862619 1.121625 1.414916
H -0.829629 -1.480005 -1.912324
H -0.625151 1.326348 1.391791
H 3.843020 1.625090 0.087456
H 6.844674 -0.927995 -0.948308
H 5.365290 -1.641634 -0.209994
H 6.754270 -1.151146 0.833461
H 7.062134 1.448547 1.149699
H 5.838754 2.496872 0.365498
H 7.105408 1.705484 -0.624939
H -5.164428 1.780405 1.430105
H -6.274844 0.382353 1.131919
H -6.193755 1.712256 -0.057318


