
#none#b88m#p91m#dnp#fine   #
#start#
1      0.086
2     -0.002
3      1.151
4      0.258
5     -4.637
6     -3.479
7      0.179
8     -8.825
9     -6.198
10    -0.033
11     1.275
12     0.597
13    -2.195
14    -0.847
15     0.326
16    -3.225
17    -1.471
18     0.039

#none#b88m#lypm#dnp#fine   #
#start#
13    -1.580
18    -0.063
5     -4.760
4      0.173
6     -3.829
17    -0.822
9     -5.529
1      0.117
2     -0.015
3      0.987
12     0.559
7      0.137
11     1.146
10    -0.069
8     -6.909
15     0.336
16    -1.581
14    -0.602

#none#pgxm#p91m#dnp#fine   #
#start#
13    -1.771
18     0.024
5     -4.177
4      0.286
6     -3.110
17    -1.235
9     -5.723
1      0.095
2      0.001
3      1.522
12     0.657
7      0.272
11     1.256
10    -0.016
8     -8.055
15     0.531
16    -2.619
14    -0.461

#pwc #none#none#dnp#fine   #
#start#
13     0.007
18     0.002
5     -1.283
4      0.194
6      0.023
17     1.635
9      0.355
1      0.118
2      0.000
3      1.000
12     0.557
7      0.215
11     1.222
10     0.000
8     -1.615
15     0.279
16     0.523
14     0.962

#vwn #none#none#dnp#fine   #
#start#
13     2.163
18     0.002
5      1.313
4      0.194
6      6.758
17     3.709
9      2.963
1      0.117
2      0.000
3      1.340
12     0.557
7     12.372
11     1.953
10     0.000
8      5.222
15     9.616
16     5.861
14     6.238

#col #b88m#cos #dnp#fine   #
#start#
13     0.059
18     0.039
5     -1.968
4      0.258
6      3.289
17     0.678
9     -3.552
1      0.085
2     -0.002
3      1.474
12     0.597
7     12.317
11     1.963
10    -0.033
8     -1.954
15     9.665
16     2.191
14     4.480

# data from table 1 for atoms
#experiment#
#start#
1                51.63               1.01
3                37.69               1.10
4                76.48               0.46
5               136.2                0.29
6               169.98               0.25
7               112.53               1.04
8                58.99               1.04
9                18.47               1.05
11               25.69               1.54
12               34.87               1.19
13               78.23               1.08
14              106.6                0.76
15               75.42               1.28
16               65.66               1.05
17               28.59               1.10
