%chk=000059888.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059888

0 1
 O  -0.3553000     -0.1977000      -1.056000    
 O    1.118000       2.093000     -0.5047000    
 N    4.827400     -0.6200000      0.9190000    
 C   -3.827700     -0.5764000      0.3281000    
 C   -2.670000      8.1000002E-03 -0.4780000    
 C   -5.123100      0.1964000      8.1500001E-02
 C   -1.385400     -0.7817000     -0.2705000    
 C   -6.285800     -0.4033000      0.8563000    
 C   0.9226000     -0.2922000     -0.5692000    
 C    1.654100      0.8583000     -0.2951000    
 C    1.474400      -1.550300     -0.3538000    
 C    2.953600      0.7493000      0.2002000    
 C    3.513400     -0.5096000      0.4184000    
 C    2.773800      -1.659400      0.1413000    
 C   0.4102000       2.685400      0.5826000    
 H   -3.582200     -0.5528000       1.396800    
 H   -3.971400      -1.628500      5.2900001E-02
 H   -2.504900       1.056100     -0.1993000    
 H   -2.918600      1.8400000E-02  -1.546700    
 H   -4.993700       1.243800      0.3779000    
 H   -5.363900      0.1891000     -0.9880000    
 H   -1.524800      -1.821200     -0.5887000    
 H   -1.119900     -0.7743000      0.7947000    
 H   -6.462600      -1.441500      0.5574000    
 H   -6.090900     -0.3839000       1.933300    
 H   -7.201400      0.1655000      0.6664000    
 H   0.9123000      -2.453700     -0.5732000    
 H    3.526200       1.649000      0.4137000    
 H    3.199600      -2.645900      0.3054000    
 H    5.233500      -1.532500       1.078000    
 H    5.364000      0.2131000       1.120800    
 H    1.096300       2.903500       1.407100    
 H  -0.3945000       2.030200      0.9295000    
 H  -2.8700000E-02   3.624500      0.2348000    


%chk=000059888-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059888

0 1
O -0.417467 0.520449 0.085476
O 1.692185 2.318635 -0.619667
N 5.029351 -1.085772 0.209703
C -4.016664 -0.728940 0.278578
C -2.817766 0.230855 0.099375
C -5.378991 -0.026458 0.077173
C -1.476257 -0.475588 0.311411
C -6.578251 -0.984174 0.244278
C 0.922113 0.072602 0.173782
C 1.946648 1.008203 -0.166707
C 1.303254 -1.236563 0.546514
C 3.298403 0.613364 -0.148465
C 3.679549 -0.710048 0.206517
C 2.658626 -1.630778 0.563991
C 0.825371 3.172009 0.216831
H -3.987113 -1.180174 1.292687
H -3.931609 -1.570119 -0.440811
H -2.899531 1.072192 0.814829
H -2.832879 0.669000 -0.917092
H -5.466955 0.810335 0.799518
H -5.406246 0.430313 -0.932900
H -1.353639 -1.316665 -0.403955
H -1.402198 -0.878603 1.344436
H -6.529936 -1.811301 -0.488933
H -6.590594 -1.432863 1.255644
H -7.539192 -0.458030 0.096789
H 0.542162 -1.975587 0.814342
H 4.046496 1.364818 -0.423919
H 2.919946 -2.656509 0.849534
H 5.305122 -2.027008 0.470236
H 5.752831 -0.427427 -0.060491
H 1.261864 3.291447 1.228216
H -0.190445 2.751537 0.293247
H 0.806413 4.145649 -0.297270


