%chk=000058242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058242

0 1
 O    1.576800       1.869700      0.1635000    
 O   0.9751000      -1.144600      -1.444000    
 O  -0.4679000       2.640700     -0.4602000    
 N  -0.2117000      0.4130000      0.3509000    
 N    2.206300      -2.370300      9.3500003E-02
 C   0.7018000     -0.5663000      0.8662000    
 C   -1.623200      5.8100000E-02  0.1922000    
 C    1.295600      -1.373700     -0.2746000    
 C   0.2218000       1.728100     -1.1900000E-02
 C   -2.540600       1.056300      0.3189000    
 C   -1.917600      -1.245000     -7.1800001E-02
 C    2.861200      -3.232600     -0.8872000    
 C    2.569000      -2.621900       1.482700    
 C   -3.885300      0.7182000      0.1666000    
 C   -3.262200      -1.583200     -0.2242000    
 C   -4.246100     -0.6015000     -0.1049000    
 C    2.139100       3.135500     -0.2037000    
 C    3.607700       3.119600      4.8200000E-02
 H   0.1883000      -1.219900       1.579500    
 H    1.511800     -7.0699997E-02   1.410100    
 H   -2.323000       2.074800      0.6119000    
 H   -1.190200      -2.039100     -0.1739000    
 H    2.601400      -4.273000     -0.6718000    
 H    3.943600      -3.094600     -0.8115000    
 H    2.539300      -2.986300      -1.902200    
 H    3.001300      -1.715400       1.915000    
 H    3.300800      -3.432300       1.551800    
 H    1.673700      -2.902100       2.044500    
 H   -4.653300       1.478100      0.2788000    
 H   -3.544000      -2.610700     -0.4348000    
 H   -5.293400     -0.8657000     -0.2189000    
 H    1.944800       3.321300      -1.266000    
 H    1.667000       3.925600      0.3911000    
 H    4.066900       4.074500     -0.2235000    
 H    3.820500       2.918000       1.103500    
 H    4.093300       2.323300     -0.5260000    


%chk=000058242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058242

0 1
O 1.569413 1.335404 0.293205
O 0.581024 -2.076762 -1.254907
O -0.355170 2.446622 -0.462167
N -0.445777 0.216925 0.332916
N 2.471837 -1.991138 0.102590
C 0.340771 -0.910777 0.880969
C -1.871558 0.053612 0.129882
C 1.151956 -1.682746 -0.186491
C 0.182298 1.414228 0.009554
C -2.777184 1.076379 0.508504
C -2.357813 -1.160251 -0.415955
C 3.219331 -2.848913 -0.837429
C 3.205698 -1.494760 1.284633
C -4.164508 0.873613 0.348747
C -3.749290 -1.355876 -0.556295
C -4.659317 -0.343829 -0.174685
C 2.327805 2.569783 -0.065224
C 3.792847 2.310962 0.272863
H -0.380096 -1.629813 1.308605
H 0.973766 -0.539644 1.699649
H -2.399083 2.021150 0.906387
H -1.640328 -1.908622 -0.770760
H 3.613197 -3.742420 -0.317466
H 4.066254 -2.294018 -1.284269
H 2.533242 -3.160923 -1.639026
H 3.042958 -0.413275 1.420207
H 4.283871 -1.657738 1.120148
H 2.921379 -2.032046 2.210322
H -4.859803 1.668734 0.640457
H -4.118251 -2.294596 -0.984695
H -5.737906 -0.496293 -0.291835
H 2.174795 2.771461 -1.140248
H 1.907555 3.417680 0.505076
H 4.394838 3.200171 0.011088
H 3.926033 2.113024 1.351141
H 4.183815 1.450594 -0.297691


