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Rb-H2_PES.txt
609 lines (201 loc) · 5.96 KB
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Rb-H2_PES.txt
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R, Ang Theta Interaction energy, cm-1
5.25 0.0 6.00
5.25 10.0 6.12
5.25 20.0 6.48
5.25 30.0 7.01
5.25 40.0 7.66
5.25 50.0 8.29
5.25 60.0 8.86
5.25 70.0 9.31
5.25 80.0 9.60
5.25 90.0 9.70
5.50 0.0 -3.44
5.50 10.0 -3.30
5.50 20.0 -2.89
5.50 30.0 -2.28
5.50 40.0 -1.57
5.50 50.0 -0.84
5.50 60.0 -0.19
5.50 70.0 0.33
5.50 80.0 0.66
5.50 90.0 0.77
5.75 0.0 -8.30
5.75 10.0 -8.16
5.75 20.0 -7.77
5.75 30.0 -7.17
5.75 40.0 -6.47
5.75 50.0 -5.76
5.75 60.0 -5.12
5.75 70.0 -4.61
5.75 80.0 -4.28
5.75 90.0 -4.17
6.00 0.0 -10.34
6.00 10.0 -10.21
6.00 20.0 -9.85
6.00 30.0 -9.31
6.00 40.0 -8.68
6.00 50.0 -8.03
6.00 60.0 -7.44
6.00 70.0 -6.98
6.00 80.0 -6.69
6.00 90.0 -6.59
6.25 0.0 -10.70
6.25 10.0 -10.60
6.25 20.0 -10.29
6.25 30.0 -9.82
6.25 40.0 -9.27
6.25 50.0 -8.70
6.25 60.0 -8.20
6.25 70.0 -7.79
6.25 80.0 -7.54
6.25 90.0 -7.45
6.50 0.0 -10.17
6.50 10.0 -10.08
6.50 20.0 -9.82
6.50 30.0 -9.43
6.50 40.0 -8.96
6.50 50.0 -8.49
6.50 60.0 -8.06
6.50 70.0 -7.72
6.50 80.0 -7.50
6.50 90.0 -7.43
6.75 0.0 -9.18
6.75 10.0 -9.11
6.75 20.0 -8.89
6.75 30.0 -8.57
6.75 40.0 -8.18
6.75 50.0 -7.79
6.75 60.0 -7.43
6.75 70.0 -7.15
6.75 80.0 -6.97
6.75 90.0 -6.91
7.00 0.0 -8.04
7.00 10.0 -7.98
7.00 20.0 -7.80
7.00 30.0 -7.54
7.00 40.0 -7.22
7.00 50.0 -6.90
7.00 60.0 -6.61
7.00 70.0 -6.38
7.00 80.0 -6.23
7.00 90.0 -6.18
7.25 0.0 -6.89
7.25 10.0 -6.84
7.25 20.0 -6.70
7.25 30.0 -6.48
7.25 40.0 -6.23
7.25 50.0 -5.97
7.25 60.0 -5.73
7.25 70.0 -5.54
7.25 80.0 -5.42
7.25 90.0 -5.38
7.50 0.0 -5.84
7.50 10.0 -5.80
7.50 20.0 -5.68
7.50 30.0 -5.51
7.50 40.0 -5.31
7.50 50.0 -5.09
7.50 60.0 -4.90
7.50 70.0 -4.75
7.50 80.0 -4.65
7.50 90.0 -4.62
7.75 0.0 -4.90
7.75 10.0 -4.87
7.75 20.0 -4.78
7.75 30.0 -4.64
7.75 40.0 -4.47
7.75 50.0 -4.30
7.75 60.0 -4.15
7.75 70.0 -4.02
7.75 80.0 -3.94
7.75 90.0 -3.91
8.00 0.0 -4.09
8.00 10.0 -4.07
8.00 20.0 -3.99
8.00 30.0 -3.88
8.00 40.0 -3.75
8.00 50.0 -3.61
8.00 60.0 -3.49
8.00 70.0 -3.39
8.00 80.0 -3.32
8.00 90.0 -3.30
8.25 0.0 -3.41
8.25 10.0 -3.39
8.25 20.0 -3.33
8.25 30.0 -3.24
8.25 40.0 -3.13
8.25 50.0 -3.02
8.25 60.0 -2.92
8.25 70.0 -2.84
8.25 80.0 -2.79
8.25 90.0 -2.77
8.50 0.0 -2.84
8.50 10.0 -2.82
8.50 20.0 -2.78
8.50 30.0 -2.70
8.50 40.0 -2.62
8.50 50.0 -2.54
8.50 60.0 -2.46
8.50 70.0 -2.39
8.50 80.0 -2.35
8.50 90.0 -2.34
8.75 0.0 -2.38
8.75 10.0 -2.37
8.75 20.0 -2.33
8.75 30.0 -2.27
8.75 40.0 -2.20
8.75 50.0 -2.13
8.75 60.0 -2.06
8.75 70.0 -2.01
8.75 80.0 -1.97
8.75 90.0 -1.96
9.00 0.0 -1.97
9.00 10.0 -1.96
9.00 20.0 -1.93
9.00 30.0 -1.88
9.00 40.0 -1.83
9.00 50.0 -1.77
9.00 60.0 -1.71
9.00 70.0 -1.67
9.00 80.0 -1.64
9.00 90.0 -1.63
9.25 0.0 -1.65
9.25 10.0 -1.64
9.25 20.0 -1.62
9.25 30.0 -1.58
9.25 40.0 -1.53
9.25 50.0 -1.48
9.25 60.0 -1.43
9.25 70.0 -1.40
9.25 80.0 -1.37
9.25 90.0 -1.37
9.50 0.0 -1.39
9.50 10.0 -1.38
9.50 20.0 -1.36
9.50 30.0 -1.32
9.50 40.0 -1.28
9.50 50.0 -1.24
9.50 60.0 -1.21
9.50 70.0 -1.18
9.50 80.0 -1.16
9.50 90.0 -1.15
9.75 0.0 -1.17
9.75 10.0 -1.16
9.75 20.0 -1.14
9.75 30.0 -1.11
9.75 40.0 -1.08
9.75 50.0 -1.05
9.75 60.0 -1.02
9.75 70.0 -0.99
9.75 80.0 -0.97
9.75 90.0 -0.97
10.00 0.0 -0.98
10.00 10.0 -0.98
10.00 20.0 -0.96
10.00 30.0 -0.94
10.00 40.0 -0.91
10.00 50.0 -0.89
10.00 60.0 -0.86
10.00 70.0 -0.84
10.00 80.0 -0.82
10.00 90.0 -0.82