%chk=000040062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040062

0 1
 O    1.093100      0.5684000      0.3215000    
 O   0.5672000       2.458400     -0.8872000    
 N   -1.908200       2.604500      0.2281000    
 C    3.183400     -0.5994000      0.3400000    
 C   -1.090100       1.444000      0.5912000    
 C    2.403800      0.5785000     -0.2270000    
 C    4.611300     -0.6410000     -0.1967000    
 C   -1.786400      0.1467000      0.2397000    
 C   0.2597000       1.576600     -9.5200002E-02
 C    5.399200      -1.793500      0.4050000    
 C   -2.638600     -0.4339000       1.162700    
 C   -1.555900     -0.4299000     -0.9972000    
 C   -3.280400      -1.629200      0.8389000    
 C   -2.197900      -1.625200      -1.321000    
 C   -3.060100      -2.224800     -0.4030000    
 H    2.659200      -1.533000      9.9900000E-02
 H    3.191200     -0.5339000       1.435300    
 H  -0.8954000       1.486800       1.670800    
 H    2.901400       1.519400      3.6100000E-02
 H    2.343300      0.4972000      -1.318700    
 H    5.123500      0.3007000      3.2800000E-02
 H    4.596000     -0.7446000      -1.287900    
 H    5.462100      -1.699900       1.493800    
 H    4.930700      -2.754300      0.1689000    
 H    6.418200      -1.805400      5.7000001E-03
 H   -2.817100      2.3499999E-02   2.131500    
 H  -0.9070000      2.1299999E-02  -1.741100    
 H   -1.435300       3.459000      0.5213000    
 H   -2.784500       2.579800      0.7491000    
 H   -3.952200      -2.095900       1.553400    
 H   -2.030200      -2.087000      -2.289700    
 H   -3.560900      -3.154900     -0.6557000    


%chk=000040062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040062

0 1
O 1.075320 0.649231 0.371688
O 0.638141 2.460911 -1.022664
N -1.914591 2.692711 -0.094559
C 3.174425 -0.564685 0.558621
C -1.166382 1.556272 0.424964
C 2.475156 0.589992 -0.156777
C 4.639183 -0.726720 0.085417
C -1.825350 0.192938 0.107538
C 0.255142 1.622779 -0.172832
C 5.360648 -1.889147 0.800222
C -1.612516 -0.925498 0.949537
C -2.651725 0.057943 -1.032186
C -2.216366 -2.167698 0.652248
C -3.251425 -1.185556 -1.334101
C -3.036274 -2.302492 -0.493114
H 2.613392 -1.500458 0.372747
H 3.151780 -0.385647 1.650936
H -1.015570 1.592911 1.529429
H 2.961171 1.564241 0.038024
H 2.426062 0.439671 -1.251048
H 5.192454 0.217729 0.263531
H 4.657144 -0.898174 -1.009951
H 5.381165 -1.730251 1.894661
H 4.848170 -2.850658 0.610008
H 6.405032 -1.988067 0.452873
H -0.967037 -0.826014 1.830534
H -2.822679 0.945248 -1.650938
H -1.368569 3.402056 -0.584665
H -2.715215 3.010552 0.446377
H -2.051372 -3.027125 1.312295
H -3.889355 -1.282658 -2.220312
H -3.506858 -3.265337 -0.723201


