%chk=000005749.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005749

1 1
 O    2.298100      0.5146000       1.901800    
 O  -0.6056000     -0.5514000      8.1299998E-02
 O  -0.3139000      0.1400000       2.260400    
 N   -4.276100     -0.1695000     -0.2597000    
 C    1.658200       1.311000     -0.2435000    
 C   0.9626000       2.543000      0.3513000    
 C    3.117200       1.626000     -0.5997000    
 C    1.581500      0.1296000      0.7219000    
 C    1.072200       3.753300     -0.5731000    
 C    3.223200       2.838100      -1.522400    
 C    2.523200       4.058100     -0.9319000    
 C    2.200600      -1.180900      0.2444000    
 C   -2.842100      6.2100001E-02 -0.5664000    
 C   0.1231000     -7.9899997E-02   1.137200    
 C   -4.654800      -1.636600     -0.5037000    
 C   -4.580500      0.1648000       1.206800    
 C   -1.990000     -0.7970000      0.3469000    
 C   -5.171100      0.7083000      -1.145200    
 C    2.127200      -1.537100      -1.102300    
 C    2.840400      -2.022500       1.154400    
 C   -4.437300      -1.971400      -1.963100    
 C   -4.288800       1.628600       1.455100    
 C    2.693300      -2.734800      -1.538900    
 C    3.406500      -3.220200      0.7177000    
 C    3.332900      -3.576300     -0.6290000    
 H    1.125000       1.076000      -1.174400    
 H    1.402500       2.824200       1.314800    
 H  -0.1027000       2.356100      0.5253000    
 H    3.602600      0.7805000      -1.097000    
 H    3.699800       1.833500      0.3067000    
 H   0.5010000       3.564700      -1.490600    
 H   0.6208000       4.628100     -9.1300003E-02
 H    4.278400       3.071900      -1.704500    
 H    2.777500       2.596100      -2.495100    
 H    3.059800       4.387300     -3.3599999E-02
 H    2.560000       4.886900      -1.647700    
 H   -2.598900       1.123500     -0.4524000    
 H   -2.634500     -0.1413000      -1.621300    
 H   -4.096400      -2.286700      0.1742000    
 H   -5.717600      -1.742300     -0.2531000    
 H   -5.651900     -2.0000000E-02   1.357600    
 H   -4.054000     -0.5124000       1.881600    
 H   -2.115300      -1.859800      0.1253000    
 H   -2.201100     -0.6665000       1.406000    
 H   -6.218700      0.5144000     -0.8986000    
 H   -4.967000      0.5002000      -2.197200    
 H   -4.917800       1.760000      -1.000100    
 H    1.767400       1.152800       2.406100    
 H    1.623400     -0.9159000      -1.835500    
 H    2.901200      -1.784300       2.212500    
 H   -4.681000      -3.032900      -2.100000    
 H   -3.404600      -1.870900      -2.301900    
 H   -5.103800      -1.443300      -2.648100    
 H   -3.247000       1.913500       1.296400    
 H   -4.945900       2.315400      0.9176000    
 H   -4.482900       1.830600       2.516400    
 H    2.632600      -3.014400      -2.586600    
 H    3.901100      -3.877900       1.426600    
 H    3.772100      -4.509700     -0.9686000    


%chk=000005749-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005749

1 1
O 1.744625 1.066616 1.890491
O -0.625971 -0.513089 -0.418073
O -0.707953 -0.124993 1.870316
N -4.427318 -0.022466 -0.116213
C 1.695246 1.231924 -0.533156
C 0.795466 2.492924 -0.485267
C 3.190216 1.635536 -0.613074
C 1.434611 0.291937 0.691523
C 1.054231 3.420581 -1.697252
C 3.448947 2.563659 -1.824484
C 2.546325 3.817757 -1.786258
C 2.265433 -1.019256 0.629626
C -2.926340 0.262526 -0.304129
C -0.048996 -0.116817 0.802395
C -4.983303 -0.943411 -1.240174
C -4.715050 -0.740524 1.242238
C -2.026647 -0.989669 -0.325710
C -5.162075 1.316122 -0.138257
C 2.103224 -1.946425 -0.431994
C 3.231303 -1.276131 1.631834
C -4.786439 -0.435062 -2.671909
C -4.109288 -0.078916 2.483949
C 2.894570 -3.114782 -0.483848
C 4.019073 -2.448059 1.579486
C 3.852636 -3.372716 0.524177
H 1.442940 0.648372 -1.442464
H 1.004318 3.038110 0.454393
H -0.277849 2.203030 -0.462998
H 3.824360 0.732826 -0.688077
H 3.470564 2.153368 0.323936
H 0.760800 2.899772 -2.633277
H 0.420895 4.325659 -1.619729
H 4.514569 2.860232 -1.840343
H 3.260355 2.005352 -2.765325
H 2.813304 4.434378 -0.904105
H 2.721484 4.443903 -2.681513
H -2.621904 0.915048 0.528337
H -2.816903 0.824019 -1.245613
H -4.496692 -1.923724 -1.101133
H -6.056556 -1.067514 -1.012103
H -5.816413 -0.788391 1.309683
H -4.338914 -1.771301 1.128611
H -2.163955 -1.604459 -1.228011
H -2.141469 -1.599439 0.587138
H -6.244393 1.133985 -0.050446
H -4.945806 1.838756 -1.080719
H -4.817193 1.931018 0.704974
H 1.248669 0.685167 2.662745
H 1.367634 -1.758248 -1.221867
H 3.383583 -0.542970 2.429225
H -5.231878 -1.180885 -3.353829
H -3.725209 -0.338218 -2.956306
H -5.299661 0.520563 -2.868556
H -3.006360 -0.083190 2.481990
H -4.473714 0.948901 2.650943
H -4.432128 -0.671172 3.359053
H 2.767596 -3.821287 -1.311523
H 4.767857 -2.632252 2.357400
H 4.465643 -4.279375 0.483073


