%chk=000016639.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016639

0 1
 O   0.1688000     -0.4701000       2.159500    
 O    2.165400       2.576500     -0.8745000    
 N  -0.5175000      0.6163000      0.1779000    
 N   9.3800001E-02   1.509100     -0.6915000    
 C    1.626600       1.092700      0.9808000    
 C    2.841500      0.1847000      0.8751000    
 C    2.683300     -0.8331000     -0.2540000    
 C   0.3576000      0.2943000       1.225300    
 C    1.379200       1.837100     -0.3055000    
 C    3.920800      -1.721700     -0.3789000    
 C   -1.792600      0.1140000     -2.5200000E-02
 C    3.781400      -2.713600      -1.522700    
 C   -2.336200     -0.8183000      0.8663000    
 C   -2.550300      0.5327000      -1.125100    
 C   -3.619500      -1.324700      0.6607000    
 C   -3.833700      2.6400000E-02  -1.330700    
 C   -4.368300     -0.9022000     -0.4377000    
 H    1.739300       1.821100       1.790800    
 H    2.991800     -0.3445000       1.824000    
 H    3.738600      0.7905000      0.6975000    
 H    1.810500      -1.472600     -7.8100003E-02
 H    2.524300     -0.3253000      -1.212300    
 H    4.081200      -2.270100      0.5567000    
 H    4.809200      -1.102300     -0.5489000    
 H  -0.3627000       1.851400      -1.525600    
 H    3.654100      -2.195400      -2.478600    
 H    2.918800      -3.370000      -1.369900    
 H    4.676400      -3.339600      -1.592600    
 H   -1.823800      -1.198000       1.738900    
 H   -2.188300       1.254000      -1.850000    
 H   -4.037100      -2.048200       1.355000    
 H   -4.417700      0.3552000      -2.185300    
 H   -5.367600      -1.296400     -0.5977000    


%chk=000016639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016639

0 1
O 0.126561 -0.671611 2.005756
O 2.007655 2.389640 -1.272301
N -0.645080 0.450680 0.059451
N -0.086643 1.410270 -0.848703
C 1.553173 0.988150 0.777723
C 2.879953 0.186279 0.768115
C 2.946802 -0.913406 -0.313807
C 0.304965 0.136677 1.057335
C 1.247491 1.700016 -0.546892
C 4.278595 -1.696570 -0.265723
C -2.022927 0.097347 -0.034106
C 4.368501 -2.791645 -1.349650
C -2.512163 -1.036120 0.671752
C -2.903761 0.868154 -0.839778
C -3.872638 -1.385025 0.556891
C -4.260431 0.494829 -0.948172
C -4.753755 -0.632958 -0.255344
H 1.616142 1.751725 1.579522
H 3.003491 -0.266460 1.770344
H 3.707402 0.905993 0.620023
H 2.105293 -1.623734 -0.179538
H 2.831801 -0.456881 -1.317707
H 4.394542 -2.155065 0.737346
H 5.122006 -0.986326 -0.385030
H -0.482153 1.479915 -1.789315
H 4.287922 -2.354333 -2.362638
H 3.552715 -3.530509 -1.236872
H 5.328071 -3.337290 -1.292798
H -1.834327 -1.611271 1.305030
H -2.557888 1.777010 -1.342942
H -4.243810 -2.257204 1.105949
H -4.932866 1.097293 -1.568465
H -5.807342 -0.917672 -0.341757


