%chk=000040215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040215

0 1
 O   0.4711000     -0.6414000      -1.041800    
 O  -1.0700000E-02   2.372600      0.3362000    
 O   0.9923000       2.635400      -1.718900    
 N   -3.136300     -0.7749000     -0.2964000    
 C   -3.162800      6.2799998E-02  0.9108000    
 C   -4.326000     -0.5458000      -1.128300    
 C   -4.407500     -0.2219000       1.752700    
 C   -5.608700     -0.8506000     -0.3529000    
 C   -5.682500     -4.1299999E-02  0.9368000    
 C   -1.917900     -0.5248000      -1.065900    
 C  -0.6853000     -0.8834000     -0.2512000    
 C    1.609000     -0.2697000     -0.3745000    
 C    2.495900      -1.246900      6.8000004E-02
 C    2.227700      -2.696000     -0.1728000    
 C    1.871800       1.077500     -0.1428000    
 C    3.655300     -0.8740000      0.7482000    
 C    3.031100       1.450400      0.5373000    
 C    2.064800      -3.488400       1.137300    
 C    3.306000      -3.354500      -1.052800    
 C    3.922900      0.4747000      0.9827000    
 C    3.344800       2.886900      0.8032000    
 C   0.9359000       2.094900     -0.6093000    
 C  -0.9909000       3.358600     -5.5000000E-03
 H   -3.128900       1.128600      0.6509000    
 H   -2.322400     -0.1434000       1.577700    
 H   -4.296400      -1.200300      -2.007800    
 H   -4.353800      0.4896000      -1.492900    
 H   -4.428600      0.4461000       2.621300    
 H   -4.363900      -1.248200       2.139400    
 H   -5.648600      -1.921300     -0.1153000    
 H   -6.480900     -0.6294000     -0.9785000    
 H   -5.815300       1.020600      0.6955000    
 H   -6.553200     -0.3498000       1.525600    
 H   -1.855600      0.5180000      -1.402900    
 H   -1.913600      -1.136700      -1.977400    
 H  -0.6035000     -0.2988000      0.6683000    
 H  -0.7104000      -1.943800      2.5100000E-02
 H    1.291100      -2.827200     -0.7252000    
 H    4.364900      -1.615500       1.104900    
 H    2.990900      -3.512100       1.721700    
 H    1.779300      -4.524700      0.9260000    
 H    1.282600      -3.046100       1.764300    
 H    4.283900      -3.373300     -0.5596000    
 H    3.032300      -4.389400      -1.285900    
 H    3.418000      -2.815100      -2.000000    
 H    4.830700      0.7475000       1.514300    
 H    2.568900       3.339700       1.429000    
 H    4.297900       3.005300       1.330300    
 H    3.423500       3.443400     -0.1366000    
 H   -1.552200       3.044400     -0.8904000    
 H   -1.683400       3.455200      0.8347000    
 H  -0.5077000       4.324800     -0.1775000    


%chk=000040215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040215

0 1
O 0.439952 -0.171023 -0.878342
O 0.071953 2.437647 0.286419
O 1.753036 3.456223 -0.948940
N -3.192932 -0.674884 -0.109244
C -3.667827 0.494819 0.672792
C -4.285035 -1.258392 -0.929380
C -4.825669 0.102409 1.612939
C -5.458875 -1.713543 -0.039156
C -5.985533 -0.538136 0.815971
C -1.967307 -0.384575 -0.889673
C -0.717958 -0.508071 -0.007840
C 1.685149 -0.041536 -0.212884
C 2.473291 -1.197467 0.039109
C 1.992076 -2.599421 -0.342715
C 2.169328 1.266908 0.074696
C 3.744517 -0.998763 0.628896
C 3.469582 1.448462 0.634115
C 1.759644 -3.481414 0.913636
C 2.978173 -3.287766 -1.323867
C 4.230193 0.291144 0.924185
C 4.036418 2.826430 0.927518
C 1.355146 2.475705 -0.275337
C -0.801546 3.585518 -0.060966
H -4.012658 1.316239 -0.013742
H -2.823070 0.896157 1.262242
H -3.876807 -2.120642 -1.488520
H -4.666899 -0.520177 -1.684910
H -5.176332 0.998976 2.159992
H -4.445469 -0.620448 2.360348
H -5.105356 -2.525661 0.625337
H -6.265452 -2.125960 -0.675687
H -6.439665 0.225542 0.150211
H -6.782764 -0.883076 1.501340
H -1.981029 0.631030 -1.353740
H -1.885386 -1.114593 -1.715854
H -0.742848 0.200761 0.838818
H -0.622270 -1.542023 0.376760
H 1.029670 -2.486313 -0.874300
H 4.375239 -1.869050 0.845647
H 2.702230 -3.632292 1.472630
H 1.375615 -4.477022 0.623074
H 1.031416 -3.017742 1.603988
H 3.967500 -3.450699 -0.856841
H 2.586053 -4.275154 -1.631366
H 3.127055 -2.676206 -2.231525
H 5.222324 0.408546 1.374515
H 3.361757 3.420895 1.571337
H 5.010428 2.743954 1.438385
H 4.171711 3.404392 -0.003303
H -0.920531 3.656523 -1.155106
H -1.760141 3.366878 0.430815
H -0.364496 4.525187 0.316620


