%chk=000005099.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005099

0 1
 O  -0.9537000      -1.074400     -0.3219000    
 O   -2.549700      -4.115900      0.4111000    
 O   -3.344300       3.594700     -0.6787000    
 O   -5.543300       3.471600       1.016000    
 O   -1.090100      -3.657400      -1.265900    
 O   0.1821000      -2.398500       1.192600    
 O    7.305200     -0.2767000      0.5685000    
 O    7.053500       2.250400     -0.5612000    
 C   -3.254100      -1.274500      -1.003500    
 C   -2.155300      -1.816000     -8.6400002E-02
 C   -3.864500     -2.7000001E-03 -0.4648000    
 C   -3.316600       1.218200     -0.8244000    
 C   -4.960500     -8.0300003E-02  0.3794000    
 C   -1.863200      -3.269700     -0.3997000    
 C   -3.880000       2.393100     -0.3263000    
 C   -5.523800       1.094400      0.8774000    
 C   -4.983700       2.331100      0.5245000    
 C   0.1327000      -1.480900      0.3890000    
 C    3.671200     -6.8999999E-03  0.2778000    
 C    1.265400     -0.6033000      1.6200000E-02
 C    2.483600     -0.7937000      0.5702000    
 C    4.936200     -0.5200000      0.5645000    
 C    3.545100       1.261500     -0.2888000    
 C    6.075100      0.2354000      0.2848000    
 C    4.683800       2.016900     -0.5685000    
 C    5.948800       1.503700     -0.2819000    
 H   -2.857700      -1.088400      -2.010700    
 H   -4.049400      -2.021200      -1.129200    
 H   -2.425200      -1.717200      0.9729000    
 H   -2.456100       1.262500      -1.486900    
 H   -5.386400      -1.038900      0.6616000    
 H   -6.383100       1.031800       1.539700    
 H    1.068600      0.1648000     -0.7232000    
 H    2.621900      -1.599800       1.287600    
 H    5.047800      -1.508400       1.005200    
 H    2.581200       1.709900     -0.5105000    
 H    4.571500       3.005300      -1.006100    
 H   -2.351500      -5.055400      0.2106000    
 H   -2.588000       3.443300      -1.271300    
 H   -6.295500       3.235300       1.585500    
 H    7.976300      0.3789000      0.3105000    
 H    6.773600       3.097200     -0.9492000    


%chk=000005099-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005099

0 1
O -1.046936 -1.222538 -0.591576
O -3.002042 -4.311282 -0.261029
O -2.915011 3.507227 -0.076941
O -5.172981 3.549206 1.414934
O -1.037470 -3.903352 -1.440492
O 0.043568 -2.183989 1.245993
O 6.999772 0.623865 1.626769
O 7.256888 2.190777 -0.558673
C -3.445745 -1.414118 -0.986754
C -2.224830 -2.044819 -0.269067
C -3.914711 -0.114695 -0.350165
C -3.184311 1.089191 -0.523022
C -5.092056 -0.081568 0.432691
C -1.972891 -3.485204 -0.734945
C -3.608868 2.296646 0.069002
C -5.525914 1.124945 1.028762
C -4.795304 2.319744 0.855101
C 0.077710 -1.413265 0.254659
C 3.605142 0.159779 0.143791
C 1.201265 -0.589601 -0.210253
C 2.387364 -0.584580 0.475795
C 4.722176 0.050154 1.022655
C 3.721319 0.980855 -1.015817
C 5.914969 0.739784 0.756648
C 4.916201 1.673918 -1.288519
C 6.008643 1.554398 -0.405043
H -3.168092 -1.262231 -2.046853
H -4.261939 -2.157075 -0.957640
H -2.377463 -2.067749 0.825068
H -2.264156 1.074847 -1.121140
H -5.676322 -0.996805 0.579056
H -6.442901 1.137818 1.632590
H 1.033448 -0.009355 -1.122258
H 2.428000 -1.213003 1.377650
H 4.667979 -0.574092 1.920435
H 2.881540 1.073512 -1.710642
H 4.998664 2.301811 -2.184394
H -2.836376 -5.247441 -0.555188
H -2.100228 3.366603 -0.621120
H -6.001793 3.441521 1.945262
H 7.752738 1.174345 1.284983
H 7.298855 2.745617 -1.373813


