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Cs-H2_PES.txt
576 lines (191 loc) · 5.44 KB
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Cs-H2_PES.txt
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R, Ang Theta Interaction energy, cm-1
5.50 0.0 6.80
5.50 10.0 6.90
5.50 20.0 7.21
5.50 30.0 7.68
5.50 40.0 8.21
5.50 50.0 8.72
5.50 60.0 9.18
5.50 70.0 9.54
5.50 80.0 9.76
5.50 90.0 9.84
5.75 0.0 -2.04
5.75 10.0 -1.91
5.75 20.0 -1.54
5.75 30.0 -0.99
5.75 40.0 -0.35
5.75 50.0 0.28
5.75 60.0 0.84
5.75 70.0 1.27
5.75 80.0 1.55
5.75 90.0 1.64
6.00 0.0 -6.82
6.00 10.0 -6.69
6.00 20.0 -6.32
6.00 30.0 -5.77
6.00 40.0 -5.13
6.00 50.0 -4.49
6.00 60.0 -3.93
6.00 70.0 -3.50
6.00 80.0 -3.22
6.00 90.0 -3.13
6.25 0.0 -9.01
6.25 10.0 -8.89
6.25 20.0 -8.55
6.25 30.0 -8.06
6.25 40.0 -7.48
6.25 50.0 -6.89
6.25 60.0 -6.37
6.25 70.0 -5.96
6.25 80.0 -5.71
6.25 90.0 -5.62
6.50 0.0 -9.65
6.50 10.0 -9.54
6.50 20.0 -9.25
6.50 30.0 -8.81
6.50 40.0 -8.29
6.50 50.0 -7.78
6.50 60.0 -7.32
6.50 70.0 -6.96
6.50 80.0 -6.73
6.50 90.0 -6.65
6.75 0.0 -9.41
6.75 10.0 -9.32
6.75 20.0 -9.07
6.75 30.0 -8.70
6.75 40.0 -8.26
6.75 50.0 -7.82
6.75 60.0 -7.42
6.75 70.0 -7.11
6.75 80.0 -6.92
6.75 90.0 -6.85
7.00 0.0 -8.65
7.00 10.0 -8.57
7.00 20.0 -8.37
7.00 30.0 -8.06
7.00 40.0 -7.69
7.00 50.0 -7.31
7.00 60.0 -6.98
7.00 70.0 -6.72
7.00 80.0 -6.55
7.00 90.0 -6.49
7.25 0.0 -7.72
7.25 10.0 -7.66
7.25 20.0 -7.49
7.25 30.0 -7.23
7.25 40.0 -6.93
7.25 50.0 -6.62
7.25 60.0 -6.34
7.25 70.0 -6.12
7.25 80.0 -5.98
7.25 90.0 -5.93
7.50 0.0 -6.73
7.50 10.0 -6.69
7.50 20.0 -6.55
7.50 30.0 -6.34
7.50 40.0 -6.08
7.50 50.0 -5.83
7.50 60.0 -5.59
7.50 70.0 -5.41
7.50 80.0 -5.29
7.50 90.0 -5.25
7.75 0.0 -5.79
7.75 10.0 -5.75
7.75 20.0 -5.63
7.75 30.0 -5.46
7.75 40.0 -5.26
7.75 50.0 -5.04
7.75 60.0 -4.85
7.75 70.0 -4.70
7.75 80.0 -4.60
7.75 90.0 -4.57
8.00 0.0 -4.93
8.00 10.0 -4.89
8.00 20.0 -4.80
8.00 30.0 -4.66
8.00 40.0 -4.49
8.00 50.0 -4.32
8.00 60.0 -4.16
8.00 70.0 -4.03
8.00 80.0 -3.95
8.00 90.0 -3.93
8.25 0.0 -4.17
8.25 10.0 -4.14
8.25 20.0 -4.06
8.25 30.0 -3.95
8.25 40.0 -3.81
8.25 50.0 -3.67
8.25 60.0 -3.54
8.25 70.0 -3.43
8.25 80.0 -3.37
8.25 90.0 -3.34
8.50 0.0 -3.50
8.50 10.0 -3.48
8.50 20.0 -3.42
8.50 30.0 -3.32
8.50 40.0 -3.21
8.50 50.0 -3.09
8.50 60.0 -2.99
8.50 70.0 -2.90
8.50 80.0 -2.85
8.50 90.0 -2.83
8.75 0.0 -2.95
8.75 10.0 -2.93
8.75 20.0 -2.88
8.75 30.0 -2.80
8.75 40.0 -2.71
8.75 50.0 -2.61
8.75 60.0 -2.53
8.75 70.0 -2.45
8.75 80.0 -2.41
8.75 90.0 -2.39
9.00 0.0 -2.48
9.00 10.0 -2.46
9.00 20.0 -2.42
9.00 30.0 -2.36
9.00 40.0 -2.28
9.00 50.0 -2.20
9.00 60.0 -2.13
9.00 70.0 -2.07
9.00 80.0 -2.03
9.00 90.0 -2.02
9.25 0.0 -2.08
9.25 10.0 -2.07
9.25 20.0 -2.04
9.25 30.0 -1.98
9.25 40.0 -1.92
9.25 50.0 -1.85
9.25 60.0 -1.79
9.25 70.0 -1.75
9.25 80.0 -1.72
9.25 90.0 -1.70
9.50 0.0 -1.75
9.50 10.0 -1.74
9.50 20.0 -1.71
9.50 30.0 -1.67
9.50 40.0 -1.61
9.50 50.0 -1.56
9.50 60.0 -1.51
9.50 70.0 -1.47
9.50 80.0 -1.44
9.50 90.0 -1.44
9.75 0.0 -1.47
9.75 10.0 -1.46
9.75 20.0 -1.44
9.75 30.0 -1.40
9.75 40.0 -1.36
9.75 50.0 -1.32
9.75 60.0 -1.27
9.75 70.0 -1.24
9.75 80.0 -1.22
9.75 90.0 -1.21
10.00 0.0 -1.24
10.00 10.0 -1.24
10.00 20.0 -1.22
10.00 30.0 -1.19
10.00 40.0 -1.15
10.00 50.0 -1.11
10.00 60.0 -1.08
10.00 70.0 -1.05
10.00 80.0 -1.03
10.00 90.0 -1.03