%chk=000040286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040286

0 1
 O    1.198800       1.062300     -0.1436000    
 O  -0.3574000     -0.5175000      0.3526000    
 O   -4.776100      -1.450500     -0.4432000    
 N    4.660700     -0.1481000      0.2261000    
 N   -1.048600       1.646200     -0.2715000    
 C    5.898100      0.5856000      0.5271000    
 C    4.856300      -1.084300     -0.8898000    
 C    7.033600     -0.3728000      0.8899000    
 C    5.957800      -2.097100     -0.5735000    
 C    7.264800      -1.400700     -0.2119000    
 C    3.573400      0.7835000     -7.2499998E-02
 C    2.222900      0.1183000      0.1407000    
 C  -0.1031000      0.6309000     -2.6000000E-03
 C   -2.462300       1.366600     -0.1329000    
 C  -0.6067000       2.984300     -0.6910000    
 C   -2.943800      7.7000000E-02 -0.3577000    
 C   -3.343000       2.387300      0.2253000    
 C  -0.3879000       3.895000      0.4995000    
 C   -4.305800     -0.1920000     -0.2241000    
 C   -4.705200       2.118300      0.3588000    
 C   -5.186500      0.8286000      0.1341000    
 C   -3.891400      -2.532900     -0.1583000    
 C   -4.713900      -3.748000      0.2423000    
 C   -3.835000      -4.939900      0.5760000    
 H    5.737400       1.255000       1.381000    
 H    6.198600       1.209200     -0.3253000    
 H    5.111800     -0.5452000      -1.811800    
 H    3.943300      -1.653900      -1.091200    
 H    7.954700      0.1942000       1.065500    
 H    6.792500     -0.8900000       1.827400    
 H    5.641000      -2.736200      0.2606000    
 H    6.116400      -2.753600      -1.436600    
 H    8.007600      -2.138300      0.1111000    
 H    7.671000     -0.9007000      -1.099700    
 H    3.649200       1.203400      -1.084400    
 H    3.611500       1.648700      0.6037000    
 H    2.090600     -0.7417000     -0.5235000    
 H    2.127400     -0.2165000       1.181000    
 H   0.3193000       2.906900      -1.271200    
 H   -1.354400       3.410200      -1.370400    
 H   -2.291600     -0.6971000     -0.7443000    
 H   -3.031600       3.410100      0.3895000    
 H  -0.1461000       4.906500      0.1573000    
 H   0.4597000       3.539900       1.096800    
 H   -1.237300       3.964200       1.180000    
 H   -5.392400       2.913600      0.6326000    
 H   -6.248800      0.6253000      0.2385000    
 H   -3.302000      -2.758200      -1.054600    
 H   -3.215600      -2.292900      0.6731000    
 H   -5.344200      -3.498200       1.104300    
 H   -5.403600      -4.009100     -0.5693000    
 H   -3.222100      -5.228400     -0.2839000    
 H   -3.167300      -4.713600       1.413600    
 H   -4.451900      -5.799200      0.8568000    


%chk=000040286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040286

0 1
O 1.234324 1.106654 -0.007438
O -0.279158 -0.596171 0.497609
O -4.977020 -1.445326 0.150287
N 4.786003 -0.052696 0.162395
N -1.019244 1.555730 -0.217785
C 6.033210 0.652444 0.556669
C 5.010480 -0.934990 -1.013042
C 7.150788 -0.353939 0.900825
C 6.095238 -1.990120 -0.718191
C 7.413363 -1.309772 -0.285057
C 3.635673 0.862697 -0.022762
C 2.322077 0.136477 0.296000
C -0.071524 0.589280 0.122807
C -2.442549 1.322534 -0.107510
C -0.542768 2.898007 -0.669691
C -2.974722 0.006211 -0.017611
C -3.333868 2.430579 -0.116106
C -0.269746 3.874774 0.492460
C -4.373509 -0.182527 0.058162
C -4.728356 2.212939 -0.045988
C -5.265764 0.917287 0.040479
C -4.101917 -2.633945 0.187354
C -5.014102 -3.857546 0.301712
C -4.200572 -5.169857 0.344722
H 5.810828 1.286616 1.435103
H 6.393389 1.330035 -0.263462
H 5.319945 -0.329972 -1.907569
H 4.060317 -1.436348 -1.272461
H 8.071454 0.198482 1.170736
H 6.837995 -0.940899 1.785978
H 5.736454 -2.653526 0.092123
H 6.254245 -2.613926 -1.618787
H 8.170188 -2.068604 -0.010612
H 7.827779 -0.733055 -1.138334
H 3.584090 1.284539 -1.056425
H 3.743221 1.717093 0.670123
H 2.176314 -0.768884 -0.318701
H 2.271411 -0.153940 1.358949
H 0.382635 2.748129 -1.245584
H -1.301300 3.300983 -1.361337
H -2.287884 -0.837692 0.014449
H -2.966562 3.457741 -0.155206
H 0.041214 4.858078 0.093602
H 0.544080 3.490501 1.130324
H -1.163852 4.023395 1.122302
H -5.401724 3.077216 -0.050671
H -6.342380 0.735812 0.099942
H -3.492549 -2.676991 -0.739634
H -3.414737 -2.564940 1.055866
H -5.630709 -3.758915 1.214595
H -5.710758 -3.865636 -0.557322
H -3.597840 -5.300549 -0.573695
H -3.508349 -5.185688 1.207377
H -4.870453 -6.043282 0.434429


