%chk=000046186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046186

0 1
 O   -3.879800      -1.864100     -0.6499000    
 O    2.734600      -3.695200      0.1772000    
 O    3.146000     -0.9475000      6.6500001E-02
 O    2.466600      0.3324000      -2.192800    
 N  -0.2820000      -1.625900     -0.4315000    
 C   -3.106900     -0.7283000     -0.2342000    
 C   -2.248000      -1.112000      0.9929000    
 C   -2.162700     -0.3491000      -1.396800    
 C   -1.130500      -2.109700      0.6623000    
 C   -1.069000      -1.393900      -1.647500    
 C   0.8032000      -2.570300     -0.6953000    
 C   -4.130300      0.3445000      0.1420000    
 C    1.684000      -2.793300      0.5365000    
 C   -5.034400      0.1113000       1.177300    
 C   -4.157600       1.553700     -0.5514000    
 C    2.309200      -1.507800       1.073600    
 C   -5.967800       1.089700       1.519900    
 C   -5.090800       2.532000     -0.2086000    
 C   -5.995900       2.300000      0.8270000    
 C    3.779700      0.2262000      0.3759000    
 C    3.554800       1.374300     -0.3779000    
 C    4.653100      0.2537000       1.459400    
 C    4.209100       2.560500     -4.5299999E-02
 C    5.307200       1.440000       1.791900    
 C    2.643300       1.362100      -1.513600    
 C    5.085200       2.593300       1.039600    
 C    1.879600       2.623700      -1.897300    
 H   -2.867400      -1.568600       1.774700    
 H   -1.798800     -0.2073000       1.425800    
 H   -1.660300      0.6048000      -1.186600    
 H   -2.732100     -0.2314000      -2.327800    
 H  -0.5676000      -2.219300       1.593700    
 H   -1.558600      -3.092400      0.4271000    
 H   -1.509400      -2.326500      -2.021800    
 H  -0.4153000      -1.010000      -2.440800    
 H   0.4099000      -3.538300      -1.036200    
 H    1.429700      -2.206300      -1.519800    
 H    1.138100      -3.294100       1.341400    
 H   -3.285000      -2.615500     -0.8025000    
 H   -5.039500     -0.8283000       1.722200    
 H   -3.483700       1.782400      -1.369200    
 H    1.547600     -0.7819000       1.379900    
 H    2.914900      -1.767900       1.949500    
 H   -6.674800      0.9081000       2.324100    
 H   -5.114900       3.473900     -0.7490000    
 H    2.321300      -4.522600     -0.1233000    
 H   -6.723500       3.061200       1.093000    
 H    4.855100     -0.6378000       2.045800    
 H    4.067800       3.471200     -0.6207000    
 H    5.993400       1.464500       2.633400    
 H    5.598000       3.515600       1.296300    
 H   0.9325000       2.337300      -2.365000    
 H    1.639900       3.218300      -1.011500    
 H    2.472200       3.211100      -2.602700    


%chk=000046186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046186

0 1
O -3.928922 -1.470299 -1.112764
O 2.849928 -3.602184 0.436488
O 2.692583 -0.633988 0.099069
O 2.191166 0.109170 -2.481988
N -0.434688 -1.779731 -0.123993
C -3.201586 -0.706206 -0.067887
C -2.657402 -1.702262 0.998487
C -2.008559 0.052308 -0.719444
C -1.536520 -2.597990 0.434675
C -0.912780 -0.907646 -1.223512
C 0.775388 -2.554269 -0.468339
C -4.218612 0.262856 0.545836
C 1.698874 -2.740517 0.758819
C -5.552584 0.320732 0.073352
C -3.831599 1.126192 1.604243
C 2.271213 -1.419377 1.271828
C -6.479057 1.221906 0.646395
C -4.756159 2.026949 2.176351
C -6.086878 2.078733 1.699545
C 3.252212 0.616569 0.279476
C 3.542341 1.380938 -0.904733
C 3.580400 1.136708 1.560256
C 4.207058 2.627948 -0.742449
C 4.213965 2.389609 1.678594
C 3.128082 0.938419 -2.277071
C 4.539845 3.140694 0.526256
C 3.851994 1.554448 -3.479257
H -3.498803 -2.323888 1.355430
H -2.259749 -1.135078 1.859860
H -1.559695 0.733760 0.025335
H -2.390363 0.667074 -1.555684
H -1.141534 -3.241246 1.242409
H -1.960019 -3.288689 -0.344553
H -1.303928 -1.521140 -2.084985
H -0.055934 -0.335488 -1.617742
H 0.520574 -3.568222 -0.875629
H 1.344479 -2.009700 -1.240323
H 1.125763 -3.196678 1.596829
H -3.260044 -1.921029 -1.688014
H -5.844522 -0.345230 -0.742046
H -2.803675 1.103953 1.987409
H 1.488834 -0.861160 1.819988
H 3.137275 -1.631137 1.928457
H -7.507829 1.254078 0.269036
H -4.439050 2.687680 2.991446
H 2.556562 -4.314657 -0.186398
H -6.805564 2.777406 2.142956
H 3.352165 0.562583 2.462091
H 4.445936 3.218972 -1.632037
H 4.459702 2.775165 2.674443
H 5.038295 4.110620 0.617606
H 3.591421 0.970547 -4.375311
H 3.521660 2.598179 -3.643831
H 4.947742 1.564115 -3.345078


