%chk=000013934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013934

1 1
 O   0.5216000      0.7553000       1.501000    
 O   0.3819000       1.029400     -0.9005000    
 O   -1.995200       2.693800     -0.6479000    
 N   -3.163800      -1.253200     -0.1257000    
 C   -1.632400      0.5717000      0.3952000    
 C   -2.365400     -0.6568000      0.9585000    
 C  -0.8118000       1.261600       1.505000    
 C  -0.6985000      0.1113000     -0.7435000    
 C   -2.677100       1.565100     -0.1393000    
 C   -3.929900      -2.494500      0.3652000    
 C   -4.197000     -0.2516000     -0.6715000    
 C   -2.269900      -1.689600      -1.300100    
 C    1.189800       1.118100      0.2837000    
 C    2.446700      0.2976000      9.4499998E-02
 C    3.536900      0.8346000     -0.5934000    
 C    2.520800     -0.9992000      0.6075000    
 C    4.695900      7.8299999E-02 -0.7677000    
 C    3.680000      -1.755300      0.4332000    
 C    4.767500      -1.216500     -0.2543000    
 H   -3.044700     -0.3837000       1.776000    
 H   -1.662700      -1.411900       1.333100    
 H  -0.7575000       2.351200       1.413100    
 H   -1.241400       1.060700       2.492800    
 H  -0.1963000     -0.8376000     -0.5593000    
 H   -1.125400      0.2270000      -1.731700    
 H   -3.382900       1.921100      0.6179000    
 H   -3.112600       1.375000      -1.094900    
 H   -3.195300      -3.221300      0.7249000    
 H   -4.588600      -2.182600       1.181300    
 H   -4.512300      -2.915900     -0.4600000    
 H   -5.093400     -0.8628000     -0.8690000    
 H   -4.597100      0.4075000      0.1020000    
 H   -4.001200      5.3900000E-02  -1.704300    
 H   -1.372800      -2.205400     -0.9550000    
 H   -2.821600      -2.521300      -1.768100    
 H   -2.270500      -1.002900      -2.143400    
 H    1.483000       2.170300      0.3880000    
 H   -1.995200       3.381800      3.9000001E-02
 H    3.492800       1.841700     -0.9997000    
 H    1.684700      -1.444900       1.139300    
 H    5.542500      0.4974000      -1.303700    
 H    3.735200      -2.764500      0.8310000    
 H    5.669600      -1.805600     -0.3907000    


%chk=000013934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013934

1 1
O 0.343783 0.664401 1.768521
O 0.649901 1.754944 -0.358224
O -3.170945 1.739516 -1.467421
N -3.050371 -1.304115 -0.451014
C -1.603093 0.920425 0.250004
C -2.247262 -0.454991 0.587585
C -0.943079 1.347634 1.625480
C -0.405780 0.818075 -0.764370
C -2.561632 2.055819 -0.159395
C -3.059528 -2.743264 0.071658
C -4.498283 -0.811799 -0.539165
C -2.441187 -1.294545 -1.851216
C 1.344108 1.256200 0.844142
C 2.389217 0.196698 0.537620
C 3.103755 0.254374 -0.684801
C 2.702084 -0.804616 1.490557
C 4.116874 -0.692177 -0.956478
C 3.718978 -1.746286 1.216132
C 4.427370 -1.693307 -0.007052
H -2.958622 -0.333431 1.425004
H -1.423890 -1.108276 0.931816
H -0.814560 2.446908 1.651677
H -1.543079 1.035105 2.496156
H 0.006182 -0.209544 -0.799470
H -0.706056 1.135680 -1.773427
H -1.966164 2.986229 -0.236330
H -3.356893 2.201705 0.601344
H -2.035941 -3.146662 0.041333
H -3.432911 -2.749522 1.107175
H -3.720407 -3.350786 -0.565377
H -5.044180 -1.455394 -1.246780
H -4.959200 -0.883936 0.458333
H -4.482412 0.226938 -0.902610
H -1.397756 -1.637536 -1.797326
H -3.023399 -1.984385 -2.482608
H -2.504324 -0.270741 -2.245167
H 1.768823 2.172100 1.298882
H -3.457009 2.568315 -1.924036
H 2.865495 1.038086 -1.411958
H 2.154968 -0.839933 2.437494
H 4.668817 -0.642448 -1.901135
H 3.963815 -2.514288 1.957738
H 5.220193 -2.419870 -0.214789


