%chk=000083693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083693

0 1
 O   -1.908800      0.3876000     -0.5421000    
 O    2.108900       2.201100     -0.6214000    
 O    3.687100       1.221000      0.6598000    
 O   -1.050100     -0.6931000       1.293500    
 N   0.3183000      0.3367000     -0.2712000    
 C    2.107300      -1.336900     -0.1639000    
 C    1.594300      3.1199999E-02  0.3347000    
 C   -3.233300      5.5000000E-02 -0.1110000    
 C    3.340200      -1.810500      0.6107000    
 C    2.385000      -1.364800      -1.670000    
 C   -3.464600      0.6704000       1.268200    
 C   -4.209100      0.6387000      -1.130400    
 C   -3.359400      -1.466800     -5.6699999E-02
 C    2.577600       1.181900      0.1399000    
 C  -0.8933000     -5.1600002E-02  0.2599000    
 H    1.315700      -2.075400      2.6100000E-02
 H    1.420400     -2.7500000E-02   1.417400    
 H    4.232100      -1.228300      0.3611000    
 H    3.559500      -2.857000      0.3711000    
 H    3.174000      -1.747000       1.691100    
 H    3.176100     -0.6594000      -1.944900    
 H    2.705300      -2.364300      -1.983600    
 H    1.488600      -1.112400      -2.245500    
 H   0.3084000      0.8580000      -1.143000    
 H   -3.099200       1.703400       1.303800    
 H   -4.535300      0.6856000       1.504900    
 H   -2.990500      0.1318000       2.092500    
 H   -4.013300      0.2353000      -2.130600    
 H   -4.087800       1.725500      -1.205900    
 H   -5.250200      0.4240000     -0.8683000    
 H   -2.873600      -1.933600      0.8038000    
 H   -4.414000      -1.761200      3.5999999E-03
 H   -2.933500      -1.927300     -0.9558000    
 H    2.762100       2.928400     -0.7023000    


%chk=000083693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083693

0 1
O -1.926231 0.416307 -0.426505
O 2.267952 2.002585 -1.074044
O 3.765039 1.344373 0.572381
O -0.864808 -0.833741 1.300353
N 0.327696 0.453255 -0.245302
C 2.142086 -1.306755 -0.138757
C 1.635153 0.115224 0.326270
C -3.340700 0.014440 -0.031684
C 3.313716 -1.810039 0.732173
C 2.481499 -1.341642 -1.644750
C -3.641059 0.533473 1.388988
C -4.183883 0.745115 -1.090839
C -3.491809 -1.515959 -0.146037
C 2.664046 1.190369 0.004969
C -0.829166 -0.060696 0.301577
H 1.268275 -1.962142 0.045932
H 1.536837 0.068753 1.427710
H 4.203289 -1.163496 0.632729
H 3.596124 -2.834441 0.427748
H 3.034021 -1.838767 1.801493
H 3.393814 -0.756092 -1.867392
H 2.667764 -2.381660 -1.968072
H 1.653500 -0.940220 -2.256799
H 0.272614 1.101461 -1.031820
H -3.468731 1.623048 1.445688
H -4.700597 0.338229 1.636960
H -3.004925 0.029970 2.133903
H -3.914174 0.403425 -2.105105
H -4.019215 1.834916 -1.034439
H -5.256573 0.541123 -0.923606
H -2.857437 -2.029231 0.593423
H -4.546052 -1.796445 0.033480
H -3.213413 -1.856371 -1.159407
H 2.980249 2.670132 -1.265719


