root/branches/newmole/data/H2_energy_D_minus.dat

2 4 29 // magic number - today's date
#
# this file gives the vibration, rotation, and energy, of all 
# levels within the ground electronic state of molecular hydrogen
# The energies are in atomic units.  Any line starting with a #
# is interpreted as a comment and ignored.  The same magic number
# appears at the start and end of the file.
#
# data are derived from
#>>refer        H2      As      Abgrall, H., Roueff, E., & Drira, I. 2000, A&AS, 141, 297-300
#
# J=0 energies were missing and calculated from J=1 and rotation constants
#
# this is the elec=6 level in the internal bookkeeping
#
# vib rot ener D- e state
# v     J       "E(v,J)"
#0      0       112872.465
0       1       112931.65
0       2       113049.3
0       3       113224.6
0       4       113456.2
0       5       113742.34
0       6       114080.9
0       7       114469.46
0       8       114905.32
0       9       115385.58
0       10      115907.2
0       11      116467.02
0       12      117061.82
0       13      117688.36
0       14      118343.42
0       15      119023.9
0       16      119726.56
0       17      120448.45
0       18      121186.66
0       19      121938.39
0       20      122700.97
0       21      123471.85
0       22      124248.6
0       23      125028.93
0       24      125810.64
0       25      126591.65
#1      0       115098.146 // extrapolated value - done for all J=0
1       1       115154.64
1       2       115266.1
1       3       115432.19
1       4       115651.59
1       5       115922.61
1       6       116243.23
1       7       116611.11
1       8       117023.68
1       9       117478.17
1       10      117971.65
1       11      118501.1
1       12      119063.43
1       13      119655.55
1       14      120274.35
1       15      120916.8
1       16      121579.91
1       17      122260.78
1       18      122956.59
1       19      123664.65
1       20      124382.36
1       21      125107.22
1       22      125836.86
1       23      126569
1       24      127301.46
1       25      128032.14
#2      0       117194.277
2       1       117248.08
2       2       117353.57
2       3       117510.72
2       4       117718.29
2       5       117974.67
2       6       118277.89
2       7       118625.67
2       8       119015.66
2       9       119445.13
2       10      119911.28
2       11      120411.19
2       12      120941.92
2       13      121500.47
2       14      122083.87
2       15      122689.18
2       16      123313.51
2       17      123954.07
2       18      124608.13
2       19      125273.05
2       20      125946.29
2       21      126625.41
2       22      127308.05
2       23      127991.93
2       24      128674.83
2       25      129354.6
2 4 29 //today's date

# these are above the dissociation limit
3       0       119164.788
3       1       119215.9
3       2       119315.57
3       3       119464.03
3       4       119660.09
3       5       119902.19
3       6       120188.46
3       7       120516.74
3       8       120884.66
3       9       121289.66
3       10      121729.04
3       11      122200.01
3       12      122699.72
3       13      123225.28
3       14      123773.84
3       15      124342.54
3       16      124928.6
3       17      125529.26
3       18      126141.87
3       19      126763.83
3       20      127392.63
3       21      128025.84
3       22      128661.07
3       23      129296.02
3       24      129928.39
3       25      130555.91
4       0       121012.749
4       1       121061.17
4       2       121155.12
4       3       121295.07
4       4       121479.85
4       5       121707.96
4       6       121977.59
4       7       122286.68
4       8       122632.94
4       9       123013.9
4       10      123426.95
4       11      123869.39
4       12      124338.48
4       13      124831.41
4       14      125345.41
4       15      125877.71
4       16      126425.59
4       17      126986.36
4       18      127557.4
4       19      128136.13
4       20      128720.02
4       21      129306.61
4       22      129893.44
4       23      130478.1
4       24      131058.15
4       25      131631.07
5       0       122740.3681
5       1       122786.1
5       2       122874.44
5       3       123005.99
5       4       123179.63
5       5       123393.92
5       6       123647.12
5       7       123937.22
5       8       124262.02
5       9       124619.14
5       10      125006.05
5       11      125420.15
5       12      125858.75
5       13      126319.14
5       14      126798.6
5       15      127294.42
5       16      127803.89
5       17      128324.38
5       18      128853.26
5       19      129387.94
5       20      129925.86
5       21      130464.44
5       22      131001.08
5       23      131533.12
5       24      132057.77
5       25      132572.08
6       0       124348.9311
6       1       124391.97
6       2       124474.73
6       3       124597.95
6       4       124760.54
6       5       124961.1
6       6       125197.96
6       7       125469.16
6       8       125772.58
6       9       126105.89
6       10      126466.65
6       11      126852.31
6       12      127260.26
6       13      127687.85
6       14      128132.41
6       15      128591.25
6       16      129061.69
6       17      129541.06
6       18      130026.67
6       19      130515.86
6       20      131005.91
6       21      131494.04
6       22      131977.38
6       23      132452.85
6       24      132917.08
6       25      133366.16
7       0       125838.9221
7       1       125879.27
7       2       125956.45
7       3       126071.32
7       4       126222.83
7       5       126409.63
7       6       126630.08
7       7       126882.3
7       8       127164.21
7       9       127473.54
7       10      127807.91
7       11      128164.82
7       12      128541.7
7       13      128935.92
7       14      129344.82
7       15      129765.71
7       16      130195.87
7       17      130632.54
7       18      131072.92
7       19      131514.16
7       20      131953.31
7       21      132387.23
7       22      132812.48
7       23      133225.11
7       24      133620.35
8       0       127209.9631
8       1       127247.62
8       2       127319.17
8       3       127425.61
8       4       127565.94
8       5       127738.82
8       6       127942.67
8       7       128175.63
8       8       128435.69
8       9       128720.61
8       10      129028.04
8       11      129355.5
8       12      129700.43
8       13      130060.2
8       14      130432.1
8       15      130813.4
8       16      131201.28
8       17      131592.85
8       18      131985.08
8       19      132374.75
8       20      132758.38
8       21      133132.05
8       22      133491.11
9       0       128460.6641
9       1       128495.63
9       2       128561.44
9       3       128659.29
9       4       128788.19
9       5       128946.84
9       6       129133.66
9       7       129346.86
9       8       129584.41
9       9       129844.12
9       10      130123.64
9       11      130420.51
9       12      130732.15
9       13      131055.85
9       14      131388.84
9       15      131728.22
9       16      132070.94
9       17      132413.81
9       18      132753.34
9       19      133085.66
9       20      133406.19
9       21      133709.1
10      0       129588.2251
10      1       129620.5
10      2       129680.38
10      3       129769.35
10      4       129886.44
10      5       130030.36
10      6       130199.55
10      7       130392.22
10      8       130606.37
10      9       130839.77
10      10      131090.08
10      11      131354.75
10      12      131631.13
10      13      131916.4
10      14      132207.59
10      15      132501.52
10      16      132794.76
10      17      133083.48
10      18      133363.22
10      19      133628.4
11      0       130588.8661
11      1       130618.45
11      2       130672.14
11      3       130751.85
11      4       130856.59
11      5       130985.07
11      6       131135.75
11      7       131306.81
11      8       131496.21
11      9       131701.72
11      10      131920.88
11      11      132151.06
11      12      132389.43
11      13      132632.93
11      14      132878.21
11      15      133121.53
11      16      133358.58
11      17      133584.01
12      0       131457.3471
12      1       131484.24
12      2       131531.4
12      3       131601.29
12      4       131692.94
12      5       131805.04
12      6       131936.02
12      7       132084.01
12      8       132246.91
12      9       132422.38
12      10      132607.8
12      11      132800.33
12      12      132996.8
12      13      133193.66
12      14      133386.74
12      15      133570.89
13      0       132187.2881
13      1       132211.49
13      2       132251.66
13      3       132311.05
13      4       132388.65
13      5       132483.12
13      6       132592.83
13      7       132715.82
13      8       132849.86
13      9       132992.4
13      10      133140.52
13      11      133290.92
13      12      133439.63
13      13      133581.67
14      0       132771.3492
14      1       132792.86
14      2       132825.47
14      3       132873.49
14      4       132935.85
14      5       133011.14
14      6       133097.58
14      7       133193.05
14      8       133295.03
14      9       133400.5
14      10      133505.77
14      11      133605.83
15      0       133202.0802
15      1       133220.9
15      2       133245.24
15      3       133280.79
15      4       133326.36
15      5       133380.36
15      6       133440.71
15      7       133504.78
15      8       133568.97
16      0       133472.3112
16      1       133488.44
16      2       133503.42
16      3       133524.67
16      4       133550.62
16      5       133578.9
16      6       133605.9
17      0       133577.9122
17      1       133591.35
17      2       133596.5
17      3       133603.27
17      4       133610.53
18      0       133599.4832
18      1       133610.23
2 4 29 //today's date