%chk=000005377.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005377

0 1
 O    4.460200     -0.9490000      0.7526000    
 O   -2.622700       3.726300      -1.912200    
 N    7.459100      0.7721000     -0.5244000    
 C   -1.089800     -0.3384000      0.2548000    
 C   -1.927000      -1.416600      6.9899999E-02
 C   0.3501000     -0.4971000      0.3836000    
 C   -1.507300      -2.871300     -8.2000002E-02
 C   -1.717000       1.020900      0.3243000    
 C   -3.392100      -1.214200     -5.7300001E-02
 C    1.161100     -0.4571000     -0.7508000    
 C   0.9207000     -0.6896000       1.641900    
 C   -1.257200      -3.262600      -1.533600    
 C    3.103200     -0.7999000      0.6306000    
 C   -1.871000       1.729800     -0.8419000    
 C   -2.110100       1.496500       1.551300    
 C    2.542200     -0.6088000     -0.6269000    
 C    2.301800     -0.8416000       1.765900    
 C   -3.930700      -1.010600      -1.311600    
 C   -4.170800      -1.234800       1.082000    
 C    6.586900      9.9500000E-02  0.4379000    
 C    5.267000     -0.2850000     -0.2113000    
 C   -2.454700       2.995100     -0.7768000    
 C   -2.693500       2.762000       1.616100    
 C   -5.307500     -0.8199000      -1.431800    
 C   -5.547400      -1.043900      0.9617000    
 C   -2.865800       3.511200      0.4521000    
 C   -6.115900     -0.8368000     -0.2952000    
 C    8.720100       1.155100      0.1093000    
 C    7.708400     -9.1200002E-02  -1.678200    
 H   -2.264500      -3.536500      0.3520000    
 H  -0.5945000      -3.060500      0.4949000    
 H   0.7323000     -0.3133000      -1.739700    
 H   0.3033000     -0.7253000       2.536300    
 H  -0.5271000      -2.604100      -2.013100    
 H  -0.8682000      -4.285100      -1.581100    
 H   -2.179700      -3.235700      -2.121300    
 H   -1.548300       1.325700      -1.797500    
 H   -1.979100      0.9217000       2.463300    
 H    3.133000     -0.6011000      -1.537700    
 H    2.742100     -0.9914000       2.747500    
 H   -3.312700     -0.9897000      -2.204600    
 H   -3.739200      -1.398400       2.065600    
 H    7.063100     -0.7945000      0.8631000    
 H    6.376900      0.7636000       1.286600    
 H    4.791500      0.6334000     -0.5814000    
 H    5.402700     -0.9888000      -1.037800    
 H   -3.013800       3.163800       2.572900    
 H   -5.749600     -0.6567000      -2.410300    
 H   -6.176700      -1.057000       1.846800    
 H   -3.321100       4.496200      0.5092000    
 H   -7.187600     -0.6879000     -0.3887000    
 H    8.537000       1.822200      0.9592000    
 H    9.284100      0.2863000      0.4679000    
 H    9.351700       1.710900     -0.5927000    
 H    8.488600      0.3422000      -2.316400    
 H    8.039400      -1.095300      -1.389100    
 H    6.830800     -0.1698000      -2.327200    
 H   -2.284200       3.216600      -2.668400    


%chk=000005377-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005377

0 1
O 4.432397 0.583664 0.601348
O -1.952461 4.800914 -0.447518
N 7.756093 -0.159104 -0.932005
C -1.275011 -0.103067 0.279693
C -1.900324 -1.320024 0.058096
C 0.217397 0.039326 0.333624
C -1.146567 -2.649908 0.077616
C -2.039425 1.166880 0.532879
C -3.368361 -1.434019 -0.227974
C 1.060354 -0.468308 -0.689113
C 0.838754 0.744314 1.406473
C -1.163350 -3.410165 -1.274253
C 3.055182 0.371697 0.444764
C -1.627913 2.376159 -0.090759
C -3.137925 1.208966 1.433811
C 2.463659 -0.310663 -0.647183
C 2.232705 0.902779 1.471205
C -3.982553 -0.609754 -1.213147
C -4.176093 -2.411393 0.418120
C 6.759402 0.392661 0.015018
C 5.333812 0.036916 -0.428914
C -2.319259 3.582655 0.158218
C -3.816838 2.422682 1.678133
C -5.351352 -0.742939 -1.525154
C -5.549055 -2.540875 0.114305
C -3.421270 3.618483 1.042469
C -6.145258 -1.707057 -0.859804
C 9.000452 0.634646 -0.989588
C 8.030294 -1.595304 -0.716424
H -1.618766 -3.304303 0.839731
H -0.106319 -2.492737 0.407384
H 0.609613 -0.979938 -1.546627
H 0.213035 1.164308 2.201641
H -0.661800 -2.826505 -2.067904
H -0.640886 -4.380107 -1.181860
H -2.197846 -3.607598 -1.606954
H -0.765176 2.363562 -0.770252
H -3.451323 0.291893 1.940910
H 3.073266 -0.708485 -1.463988
H 2.707767 1.431269 2.303514
H -3.373758 0.136167 -1.734805
H -3.734487 -3.062838 1.181288
H 6.915198 0.038130 1.062985
H 6.851114 1.493402 0.029467
H 5.118567 0.492921 -1.414782
H 5.191226 -1.060164 -0.502740
H -4.661147 2.440454 2.376121
H -5.799123 -0.096351 -2.288431
H -6.152638 -3.291700 0.637255
H -3.933720 4.568113 1.222012
H -7.209514 -1.809602 -1.099978
H 8.764306 1.683123 -1.242837
H 9.579130 0.629978 -0.031247
H 9.657361 0.233286 -1.782378
H 8.687335 -1.971338 -1.520732
H 8.527883 -1.802907 0.265000
H 7.093357 -2.177584 -0.750936
H -1.159640 4.676988 -1.026490


