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. 2021 Sep 30;1:116. [Version 1] doi: 10.12688/openreseurope.14073.1

Table 8. Expansion coefficients of the potential energy surfaces (in cm -1) a .

CH 3CO
A l M A l M A l M
66.538 0 -71.867 3 5.329 6
CH 2COH
A nl N L A nl N L A nl N L
2308.050 0 0 0.572 2 2 -4.161 -1 1
-1958.054 2 0 -0.6x10 -4 2 4 0.7x10 -4 -1 3
-55.340 4 0 -0.046 4 2 -3.838 -3 1
38.721 6 0 0.1x10 -4 4 4 -0.11x10 -3 -3 3
0.589 0 2 0.001 6 2 0.534 -5 1
0.10x10 -3 0 4 -0.2x10 -5 6 4 -0.1x10 -4 -5 3
CH 2COCH 3
A mnl N M L A mnl N M L A lmn N M L
1936.238 0 0 0 -0.12x10 -3 2 0 4 0.1x10 -5 4 3 4
-1432.135 2 0 0 0.069 4 0 2 0.008 -1 3 1
-61.140 4 0 0 -0.4x10 -4 4 0 4 -0.1x10 -4 -1 3 3
-2.543 6 0 0 0.019 6 0 2 -1.108 -3 3 1
-149.629 0 3 0 -0.10x10 -4 6 0 4 -0.5x10 -4 -3 3 3
-0.521 0 6 0 0.062 -1 0 1 -0.033 -5 3 1
0.379 0 0 2 0.007 -1 0 3 0.5x10 -4 -5 3 3
0.23x10 -3 0 0 4 2.883 -3 0 1 0.038 -2 -3 2
72.044 2 3 0 0.001 -3 0 3 -0.1x10 -4 -2 -3 4
-1.843 2 6 0 -0.112 -5 0 1 -0.013 -4 -3 2
-3.507 4 3 0 -0.5x10 -4 -5 0 3 0.2x10 -5 -4 -3 4
-0.023 4 6 0 -0.005 0 3 2 -0.056 -6 -3 2
0.378 6 3 0 0.1x10 -4 0 3 4 0.3x10 -4 -6 -3 4
0.347 6 6 0 -0.001 0 6 2 0.304 1 -3 1
-73.592 -2 -3 0 -0.023 2 3 2 0.3x10 -4 1 -3 3
6.280 -4 -3 0 0.1x10 -5 0 6 4 -1.382 3 -3 1
0.559 2 0 2 0.003 4 3 2 0.6x10 -3 3 -3 3

a) M=3m; N=2n or 2n+1; L=2l or 2l+1; M ≥ 0 ⇒ cos 3mθ 1 ; M < 0 ⇒ sin 3mθ 1; N ≥ 0 ⇒ cos2 ; N < 0 ⇒ sin2 ;