%chk=000050738.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050738

0 1
 O   0.5610000     -0.6866000     -9.4200000E-02
 O  -0.5491000      -2.600400      0.5416000    
 N    3.009500      0.6621000      0.5752000    
 N   -5.228100       1.708500     -0.2249000    
 C    2.987600     -0.4484000     -0.3858000    
 C    1.808000      -1.367600     -2.0400001E-02
 C    4.326100      -1.193000     -0.2858000    
 C    2.820800      0.1172000      -1.803800    
 C    4.105300       1.568600      0.2809000    
 C    4.144500       2.727000       1.256100    
 C  -0.5410000      -1.424200      0.2134000    
 C   -1.772200     -0.6025000      9.7499996E-02
 C   -2.849600     -0.8973000      0.9076000    
 C   -1.800600      0.4314000     -0.8162000    
 C   -4.005900     -0.1247000      0.7994000    
 C   -2.956900       1.204000     -0.9241000    
 C   -4.059500      0.9260000     -0.1165000    
 H    1.941600      -1.758400      0.9974000    
 H    1.783500      -2.223100     -0.7079000    
 H    2.124400       1.167800      0.5409000    
 H    4.257400      -2.154100     -0.8110000    
 H    4.586700      -1.422000      0.7544000    
 H    5.164400     -0.6619000     -0.7485000    
 H    3.729000      0.5840000      -2.199400    
 H    2.572300     -0.6916000      -2.502400    
 H    2.004400      0.8470000      -1.861800    
 H    5.082100       1.084000      0.3640000    
 H    4.026900       2.016500     -0.7139000    
 H    3.222400       3.316500       1.209500    
 H    4.272200       2.374200       2.285300    
 H    4.981100       3.394200       1.023700    
 H   -2.818500      -1.710300       1.626900    
 H  -0.9608000      0.6601000      -1.465500    
 H   -4.858200     -0.3504000       1.435300    
 H   -2.987500       2.018600      -1.643400    
 H   -5.268200       2.468900     -0.8905000    
 H   -6.028800       1.506000      0.3586000    


%chk=000050738-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050738

0 1
O 0.665543 -0.665831 -0.066710
O -0.465335 -2.502073 0.822419
N 3.096695 0.673987 0.401025
N -5.284214 1.757932 -0.199908
C 3.077301 -0.541202 -0.464472
C 1.935717 -1.432104 0.066610
C 4.395046 -1.335767 -0.280071
C 2.849935 -0.231781 -1.975876
C 4.101522 1.723981 0.136993
C 3.953823 2.862085 1.164400
C -0.498038 -1.330736 0.362018
C -1.711268 -0.500014 0.200461
C -2.959371 -1.034472 0.622999
C -1.683290 0.805661 -0.361492
C -4.142474 -0.294495 0.494410
C -2.861338 1.555310 -0.496711
C -4.114269 1.018133 -0.069372
H 2.090674 -1.672275 1.133182
H 1.846554 -2.369312 -0.511883
H 2.147814 1.068123 0.475993
H 4.334032 -2.318945 -0.782135
H 4.599577 -1.492470 0.793637
H 5.250100 -0.792766 -0.720373
H 3.645251 0.431187 -2.362006
H 2.864646 -1.159811 -2.577828
H 1.874062 0.261862 -2.128427
H 5.111326 1.281753 0.231892
H 4.036958 2.156269 -0.892754
H 2.956933 3.338386 1.089660
H 4.066613 2.468344 2.189640
H 4.715072 3.645834 0.997522
H -2.973462 -2.041862 1.052611
H -0.727376 1.221258 -0.692921
H -5.096612 -0.721089 0.826650
H -2.825021 2.561034 -0.932934
H -5.269722 2.692912 -0.597437
H -6.177105 1.379055 0.102890


