%chk=000004636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004636

0 1
 O   -2.168000      -2.160600      8.1900001E-02
 N    3.945400      0.8751000      4.3099999E-02
 N    2.902200      -1.041000     -0.6435000    
 C   -3.452200      0.3014000     -0.5202000    
 C   -1.999700      0.2191000     -2.2200000E-02
 C   0.5967000      0.1104000      0.8627000    
 C   -1.452400      -1.010800      0.2455000    
 C  -0.1331000      -1.066400      0.6951000    
 C   7.4999998E-03   1.342700      0.5804000    
 C   -1.311800       1.398300      0.1309000    
 C   -3.839100       1.778100     -0.7517000    
 C   -4.398500     -0.3122000      0.5344000    
 C   -3.701200     -0.4491000      -1.848100    
 C    2.011400      5.2700002E-02   1.345600    
 C    2.973200     -5.6299999E-02  0.2088000    
 C   0.4928000      -2.390800      0.9969000    
 C   0.7662000       2.617800      0.7540000    
 C    4.728100      0.5411000      -1.109600    
 C    4.032500     -0.7495000      -1.584200    
 H   -1.707500       2.384200     -6.9399998E-02
 H   -4.879800       1.841100      -1.097300    
 H   -3.805000       2.374800      0.1680000    
 H   -3.240000       2.256900      -1.535800    
 H   -4.219200      0.1226000       1.525200    
 H   -5.445300     -0.1086000      0.2770000    
 H   -4.314000      -1.397800      0.6296000    
 H   -4.723200     -0.2842000      -2.209500    
 H   -3.013100     -9.7400002E-02  -2.626000    
 H   -3.568200      -1.531200      -1.764000    
 H    2.259600      0.9377000       1.942600    
 H    2.185000     -0.7655000       2.051800    
 H   9.9399999E-02  -2.776800       1.943800    
 H   0.2651000      -3.110000      0.2010000    
 H    1.579500      -2.407600       1.066400    
 H    1.004900       2.787900       1.808700    
 H    1.684000       2.615600      0.1591000    
 H   0.1837000       3.483600      0.4187000    
 H    5.773600      0.3579000     -0.8450000    
 H    4.677100       1.325800      -1.870000    
 H    4.114400       1.685100      0.6264000    
 H    3.637900     -0.6301000      -2.598900    
 H    4.731400      -1.592800      -1.584200    
 H   -1.760900      -2.894700      0.5676000    


%chk=000004636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004636

0 1
O -2.084612 -2.069424 -0.229472
N 3.085138 0.555428 -0.805824
N 4.118874 -1.045604 0.493902
C -3.505255 0.457175 -0.521087
C -2.049217 0.351248 -0.006429
C 0.671244 0.174100 0.967588
C -1.375005 -0.895966 0.125338
C -0.034815 -1.004466 0.592170
C 0.028433 1.440506 0.851918
C -1.301527 1.492852 0.366754
C -3.998125 1.928335 -0.571611
C -4.460444 -0.328882 0.429069
C -3.600355 -0.123954 -1.965318
C 2.109299 0.081816 1.480564
C 3.130442 -0.177072 0.388713
C 0.592224 -2.391216 0.671416
C 0.718090 2.739730 1.251867
C 4.102384 0.019361 -1.741728
C 4.915100 -0.930754 -0.780768
H -1.773051 2.476525 0.287920
H -5.038072 1.945921 -0.945846
H -3.995786 2.401148 0.428231
H -3.387137 2.547086 -1.255218
H -4.427412 0.092698 1.451050
H -5.501030 -0.253684 0.059692
H -4.182838 -1.393304 0.479205
H -4.644128 -0.058512 -2.327104
H -2.959500 0.450727 -2.660027
H -3.287195 -1.179537 -1.989867
H 2.382967 1.022887 1.989299
H 2.231264 -0.720837 2.226386
H 0.091617 -3.028651 1.429873
H 0.543591 -2.920274 -0.303670
H 1.659085 -2.352341 0.935517
H 0.907016 2.787620 2.342235
H 1.695059 2.877547 0.750801
H 0.087012 3.606818 0.992585
H 4.728740 0.822508 -2.168389
H 3.629569 -0.537987 -2.576106
H 2.235581 1.024498 -1.120885
H 5.074430 -1.933130 -1.214789
H 5.908520 -0.506026 -0.542671
H -1.520774 -2.868415 -0.079686


