%chk=000004049.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004049

0 1
 O  -0.2142000     -0.8440000       1.491600    
 O    1.260300      0.6092000      -1.543400    
 O   -1.398100       1.547300      0.4928000    
 O    2.396400      -1.814300     -0.5420000    
 O    3.841000       1.309800      0.6660000    
 N   -3.870200      0.3703000     -0.3180000    
 C  -0.1524000     -0.4930000      0.1102000    
 C    1.177900      0.2476000     -0.1659000    
 C   -1.405300      0.3336000     -0.2553000    
 C    2.424000     -0.5918000      0.1917000    
 C   -2.703200     -0.4283000      5.1800001E-02
 C    3.742900      0.1229000     -0.1044000    
 C   -5.099300     -0.3693000     -7.5099997E-02
 H  -0.1837000      -1.422800     -0.4699000    
 H    1.207100       1.173800      0.4196000    
 H   -1.372800      0.6001000      -1.318000    
 H    2.383400     -0.8408000       1.258800    
 H   -2.759900     -0.6497000       1.124300    
 H   -2.702200      -1.378200     -0.4963000    
 H    3.832800      0.3799000      -1.164900    
 H    4.596000     -0.5218000      0.1342000    
 H  -8.3700001E-02 -3.4499999E-02   2.013800    
 H    1.243700     -0.2117000      -2.064600    
 H   -3.815000      0.6174000      -1.305800    
 H   -1.529400       1.326200       1.430200    
 H    3.163200      -2.342700     -0.2618000    
 H   -5.142700      -1.286200     -0.6719000    
 H   -5.958000      0.2509000     -0.3503000    
 H   -5.206200     -0.6258000      0.9839000    
 H    3.785900       1.056900       1.603300    


%chk=000004049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004049

0 1
O -0.124789 -0.660133 1.568218
O 1.277188 0.217058 -1.820998
O -1.496095 1.356218 0.618251
O 2.562933 -1.802183 -0.714300
O 3.725917 1.341923 1.044446
N -3.777915 0.363275 -0.226913
C -0.088921 -0.545739 0.103401
C 1.225436 0.140648 -0.352076
C -1.326297 0.258781 -0.356245
C 2.459819 -0.613701 0.172987
C -2.629830 -0.580005 -0.327838
C 3.753379 0.221872 0.095158
C -5.017906 -0.193309 0.360814
H -0.116056 -1.576491 -0.297278
H 1.244637 1.182246 0.013558
H -1.136855 0.674048 -1.365536
H 2.258519 -0.929832 1.218069
H -2.631825 -1.203450 0.586118
H -2.679250 -1.256113 -1.208197
H 3.846423 0.687719 -0.899012
H 4.638901 -0.429762 0.274689
H -0.561284 0.198932 1.853629
H 1.632798 -0.664031 -2.121665
H -3.961126 0.828422 -1.127501
H -2.508027 1.456059 0.646336
H 3.316466 -2.375935 -0.433015
H -5.435126 -1.056592 -0.204202
H -5.789673 0.594647 0.409501
H -4.811099 -0.530144 1.391797
H 3.607958 0.986569 1.962405


