%chk=000048538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048538

0 1
 O   0.4795000       1.919600      0.5225000    
 O   -2.517500      -1.592200     -0.7369000    
 O    1.791800      -2.543800      0.4052000    
 N    1.169000     -0.2953000      0.4653000    
 N  -0.3444000      -1.998600     -0.1582000    
 C   -1.140600      0.3161000     -0.2189000    
 C   -1.375400       1.006900      -1.569700    
 C   0.2300000      0.7316000      0.2909000    
 C   -2.123700      0.7905000      0.8146000    
 C   -1.414800      -1.160200     -0.3953000    
 C  -0.4794000      0.4260000      -2.642600    
 C   0.9404000      -1.664000      0.2496000    
 C    2.494200      0.1138000      0.9217000    
 C   -2.037900      0.1332000       2.160100    
 C   -3.025600       1.747100      0.5489000    
 C    3.398900      0.4347000     -0.2280000    
 C    3.955600       1.634600     -0.4292000    
 H   -1.176800       2.085600      -1.517300    
 H   -2.407500      0.8742000      -1.921300    
 H   0.5813000      0.5187000      -2.390500    
 H  -0.6967000     -0.6268000      -2.846600    
 H  -0.6341000      0.9681000      -3.582200    
 H  -0.5198000      -2.990300     -0.2953000    
 H    2.947300     -0.6986000       1.501800    
 H    2.402700      0.9682000       1.602900    
 H   -2.262400     -0.9361000       2.101300    
 H   -1.045300      0.2573000       2.603900    
 H   -2.755200      0.5683000       2.865500    
 H   -3.721100       2.062500       1.322400    
 H   -3.132900       2.266600     -0.3935000    
 H    3.620000     -0.3644000     -0.9309000    
 H    4.607300       1.801900      -1.279800    
 H    3.772300       2.465000      0.2435000    


%chk=000048538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048538

0 1
O 0.501682 1.981953 0.359173
O -2.440002 -1.654457 -0.992276
O 1.808666 -2.489503 0.640027
N 1.150216 -0.240866 0.531150
N -0.326029 -1.996430 -0.134973
C -1.207631 0.350912 -0.265290
C -1.462045 1.074288 -1.628709
C 0.203093 0.767845 0.222668
C -2.211182 0.762848 0.852890
C -1.393351 -1.161557 -0.501727
C -0.466880 0.675933 -2.739197
C 0.935146 -1.625301 0.366650
C 2.510131 0.178720 1.005739
C -1.980057 0.118244 2.210015
C -3.224851 1.634685 0.635656
C 3.513084 0.240128 -0.131347
C 4.089775 1.388763 -0.561204
H -1.398531 2.160250 -1.440796
H -2.490575 0.827483 -1.945567
H 0.576391 0.917147 -2.464083
H -0.527137 -0.401980 -2.977692
H -0.699209 1.230029 -3.665689
H -0.456695 -3.004729 -0.272188
H 2.826424 -0.562212 1.759662
H 2.388211 1.167491 1.473816
H -2.023051 -0.986845 2.151913
H -0.989227 0.387568 2.625233
H -2.744838 0.444979 2.933419
H -3.913178 1.898257 1.446779
H -3.409245 2.110844 -0.330610
H 3.774766 -0.722865 -0.591106
H 4.827376 1.389362 -1.371735
H 3.837954 2.359215 -0.116701


