%chk=000046568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046568

1 1
 O   -2.443600     -0.7620000     -0.3014000    
 O   -2.508700       1.380700      0.5696000    
 N    3.137300     -0.6264000      9.8099999E-02
 N   -4.508500      0.3294000      1.7300000E-02
 C    3.748900      0.4976000     -0.7356000    
 C    1.611100     -0.6633000     -1.1200000E-02
 C    3.697700      -1.952600     -0.4077000    
 C    3.519700     -0.3967000       1.557700    
 C   0.9310000      -1.133300       1.061900    
 C    1.068600     -0.2227000      -1.171700    
 C    3.251500       1.849000     -0.3409000    
 C  -0.4599000      -1.166900      0.9624000    
 C  -0.3224000     -0.2562000      -1.271200    
 C   -1.086800     -0.7283000     -0.2040000    
 C    4.036800       2.827200      0.1231000    
 C   -3.116000      0.4035000      0.1332000    
 C   -5.219000     -0.8333000     -0.5052000    
 C   -5.337700       1.454400      0.4256000    
 H    4.835900      0.4329000     -0.5873000    
 H    3.592600      0.2977000      -1.801000    
 H    3.428800      -2.072500      -1.461900    
 H    4.785600      -1.930900     -0.2919000    
 H    3.274900      -2.765300      0.1913000    
 H    3.397700      -1.325300       2.124300    
 H    4.585100     -0.1416000       1.592300    
 H    2.935200      0.4255000       1.983700    
 H    1.366100      -1.516000       1.974500    
 H    1.612000      0.1132000      -2.043500    
 H    2.199800       2.086700     -0.4682000    
 H   -1.050000      -1.543200       1.793900    
 H  -0.8047000      7.7799998E-02  -2.186000    
 H    3.618400       3.795700      0.3745000    
 H    5.102500       2.682300      0.2619000    
 H   -5.900900      -1.202100      0.2666000    
 H   -4.540100      -1.638900     -0.7911000    
 H   -5.793500     -0.5260000      -1.383900    
 H   -4.735500       2.283400      0.8056000    
 H   -6.021000       1.121000       1.212100    
 H   -5.913200       1.799300     -0.4383000    


%chk=000046568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046568

1 1
O -2.508706 -0.217627 0.279349
O -3.073451 0.797270 -1.803017
N 3.204277 -0.607292 -0.136353
N -4.719249 0.197047 -0.238231
C 3.828324 0.811822 -0.422857
C 1.685667 -0.498731 -0.032713
C 3.576226 -1.544800 -1.292702
C 3.842601 -1.159479 1.132849
C 1.000067 -0.857630 1.148040
C 0.967979 -0.019555 -1.151632
C 3.497268 1.826736 0.638954
C -0.401443 -0.740704 1.196140
C -0.434042 0.103346 -1.110784
C -1.125487 -0.263451 0.075764
C 4.442379 2.440142 1.394700
C -3.441588 0.313087 -0.705063
C -5.109987 -0.377372 1.063582
C -5.820028 0.695731 -1.090142
H 4.916617 0.652185 -0.513391
H 3.429104 1.114785 -1.405532
H 3.180096 -1.142569 -2.234871
H 4.673388 -1.621668 -1.351493
H 3.130835 -2.531940 -1.100212
H 3.447339 -2.166142 1.331534
H 4.929942 -1.215116 0.971129
H 3.635524 -0.482574 1.972550
H 1.516135 -1.223548 2.038128
H 1.472235 0.273228 -2.079111
H 2.442450 2.112914 0.735631
H -0.949852 -1.015155 2.101188
H -0.987128 0.480087 -1.971452
H 4.173342 3.222346 2.111943
H 5.510400 2.203876 1.305602
H -5.608664 0.392976 1.680786
H -4.229855 -0.752484 1.598467
H -5.819015 -1.210476 0.904062
H -5.404907 1.105798 -2.021564
H -6.378792 1.488116 -0.559673
H -6.514298 -0.129379 -1.332004


