%chk=000050742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050742

0 1
 O  -0.2291000     -0.6359000     -3.2499999E-02
 O   -1.301000      -2.212300       1.257900    
 N    3.406400      -1.115900     -0.3206000    
 N   -6.019900       1.685200     -0.6348000    
 C    4.452200     -0.3720000      -1.022900    
 C    4.501000       1.105900     -0.5962000    
 C    4.827800       1.301300      0.8873000    
 C    5.793500      -1.051300     -0.7498000    
 C    2.105100     -0.5042000     -0.5385000    
 C    4.888200       2.776800       1.252000    
 C    1.019400      -1.276900      0.1935000    
 C   -1.312200      -1.210000      0.5603000    
 C   -2.548500     -0.4497000      0.2470000    
 C   -3.749700      -1.125700      0.1860000    
 C   -2.457600      0.9093000      2.5900001E-02
 C   -4.845700      0.9632000     -0.3365000    
 C   -4.911000     -0.4116000     -0.1091000    
 C   -3.618900       1.623700     -0.2691000    
 H    4.267200     -0.4128000      -2.104200    
 H    5.290900       1.596100      -1.182800    
 H    3.587600       1.645300     -0.8681000    
 H    5.796700      0.8571000       1.136100    
 H    4.073100      0.8154000       1.515300    
 H    3.394400      -2.082800     -0.6440000    
 H    5.816200      -2.046900      -1.208700    
 H    5.988600      -1.188700      0.3190000    
 H    6.620900     -0.4759000      -1.178800    
 H    1.860900     -0.4597000      -1.607200    
 H    2.052000      0.5196000     -0.1556000    
 H   0.9704000      -2.307500     -0.1790000    
 H    1.227700      -1.295900       1.270500    
 H    5.660200       3.293500      0.6726000    
 H    3.928300       3.267200       1.060900    
 H    5.124300       2.895700       2.314200    
 H   -3.812800      -2.196100      0.3578000    
 H   -1.517100       1.449000      8.5699998E-02
 H   -5.860900     -0.9377000     -0.1597000    
 H   -3.555400       2.695000     -0.4415000    
 H   -6.909500       1.206800     -0.6847000    
 H   -5.973000       2.681800     -0.8002000    


%chk=000050742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050742

0 1
O -0.304920 -0.408209 -0.092089
O -1.263988 -1.972321 1.350155
N 3.384064 -0.831678 -0.412174
N -6.443990 1.339205 -0.801091
C 4.516822 -0.133343 -1.080807
C 4.836906 1.217936 -0.381627
C 5.288750 1.097565 1.090707
C 5.735375 -1.080211 -1.104251
C 2.037685 -0.280498 -0.669373
C 5.403672 2.472821 1.783357
C 1.025342 -0.976956 0.244679
C -1.403085 -1.007873 0.551902
C -2.685923 -0.375691 0.176207
C -3.884813 -0.879322 0.751350
C -2.769132 0.713582 -0.733839
C -5.213060 0.776897 -0.481035
C -5.128900 -0.318047 0.433123
C -4.008969 1.283097 -1.059787
H 4.254608 0.107582 -2.143838
H 5.618516 1.735102 -0.976371
H 3.940280 1.870224 -0.426519
H 6.267172 0.580592 1.143017
H 4.562811 0.456918 1.626323
H 3.414013 -1.843830 -0.599610
H 5.536131 -1.968545 -1.734085
H 5.979043 -1.430142 -0.085377
H 6.621409 -0.565518 -1.516360
H 1.706545 -0.383492 -1.731573
H 2.041433 0.799263 -0.437279
H 0.999235 -2.072078 0.084929
H 1.249432 -0.789926 1.309312
H 6.128213 3.126408 1.260276
H 4.427864 2.995015 1.790498
H 5.738289 2.370563 2.832346
H -3.812164 -1.718582 1.451317
H -1.849134 1.103907 -1.178162
H -6.044489 -0.717778 0.885641
H -4.058889 2.123331 -1.763068
H -7.302498 0.983081 -0.390546
H -6.508958 2.119351 -1.448776


