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Home All issues Volume 658 (February 2022) A&A, 658 (2022) A127 Full HTML
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Table B.1

Fitted parameters of the RAM Hamiltonian for the CD3OH molecule

ntr a Operatorb Par.c Valued,e
22,0 F 24.99356109(43)
22,0 (1 − cos3α) (1∕2)V3 185.1289748(35)
21,1 pαPa ρ 0.8946581266(13)
20,2 A 2.362252(81)
20,2 B 0.66232398(79)
20,2 C 0.64264483(79)
20,2 (1∕2){Pa, Pb} 2Dab − 0.008425955(88)
44,0 (1 − cos6α) (1∕2)V6 − 1.4646101(58)
44,0 Fm − 0.9213472(38) × 10−2
43,1 ρm − 0.3632688(14) × 10−1
42,2 P2(1 − cos3α) V3J − 0.18368380(18) × 10−2
42,2 V3K 0.57101(48) × 10−2
42,2 V3bc 0.6587(36) × 10−4
42,2 (1∕2){Pa, Pb}(1 − cos3α) V3ab 0.1395550(16) × 10−1
42,2 FJ − 0.7842383(16) × 10−4
42,2 FK − 0.5383863(18) × 10−1
42,2 Fbc − 0.187898(45) × 10−3
42,2 (1∕2){Pa, Pc}sin3α D3ac 0.177854(30) × 10−1
42,2 (1∕2){Pb, Pc}sin3α D3bc − 0.11072(10) × 10−2
41,3 pαPaP2 ρJ − 0.12995447(30) × 10−3
41,3 ρK − 0.3547761(11) × 10−1
41,3 ρbc − 0.258198(50) × 10−3
40,4 P4 − ΔJ − 0.7944(33) × 10−6
40,4 − ΔJK − 0.59151(14) × 10−4
40,4 − ΔK − 0.877157(12) × 10−2
40,4 − 2δJ − 0.54786(13) × 10−7
40,4 − 2δK − 0.73779(20) × 10−4
40,4 (1∕2)P2 {Pa, Pb} DabJ − 0.56434(79) × 10−6
40,4 DabK 0.8214(11) × 10−6
66,0 (1 − cos 9α) (1∕2)V9 2.1981fixed
66,0 Fmm 0.62823(42) × 10−5
65,1 ρmm 0.44437(23) × 10−4
64,2 P2 (1 − cos 6α) V6J 0.49894(39) × 10−5
64,2 V6K 0.673(30) × 10−3
64,2 V6bc − 0.446(11) × 10−4
64,2 (1∕2){Pa, Pc} sin 6α D6ac 0.1136(17) × 10−2
64,2 (1∕2){Pb, Pc} sin 6α D6bc 0.378(22) × 10−4
64,2 FmJ 0.48485(19) × 10−7
64,2 FmK 0.125829(52) × 10−3
63,3 ρmJ 0.188581(67) × 10−6
63,3 ρmK 0.184918(64) × 10−3
62,4 P4 (1 − cos 3α) V3JJ 0.60397(57) × 10−8
62,4 V3JK − 0.16548(79) × 10−6
62,4 V3KK 0.3187(56) × 10−6
62,4 (1∕2)P2 {Pa, Pb}(1 − cos3α) V3abJ 0.34485(79) × 10−6
62,4 V3abK − 0.9540(14) × 10−6
62,4 V3ab3 0.5448(10) × 10−6
62,4 V3b2c2 0.3925(12) × 10−8
62,4 FJJ 0.48947(24) × 10−9
62,4 FJK 0.278281(93) × 10−6
62,4 FKK 0.149895(46) × 10−3
62,4 FbcK − 0.642(13) × 10−8
62,4 (1∕2)P2 {Pa, Pc} sin 3α D3acJ − 0.13489(32) × 10−6
62,4 D3acK − 0.3435(18) × 10−6
62,4 D3bcK − 0.1279(16) × 10−6
62,4 D3acb2 − 0.56143(76) × 10−6
61,5 pαPaP4 ρJJ 0.50052(35) × 10−9
61,5 ρJK 0.184028(59) × 10−6
61,5 ρKK 0.63858(18) × 10−4
61,5 ρbcJ 0.6671(39) × 10−9
61,5 ρabJ − 0.1092(16) × 10−8
61,5 ρb2c2 0.55339(72) × 10−9
60,6 P6 ΦJ 0.2401(11) × 10−12
60,6 ΦJK 0.17666(14) × 10−9
60,6 ΦKJ 0.45755(15) × 10−7
60,6 ΦK 0.112081(29) × 10−4
60,6 2ϕJ 0.14279(30) × 10−12
60,6 2ϕJK 0.6740(37) × 10−9
60,6 2ϕK 0.611(13) × 10−8
60,6 DabJK − 0.1162(15) × 10−8
86,2 V9K − 0.269(11) × 10−2
86,2 (1∕2){Pa, Pc}sin9α D9ac − 0.2699(55) × 10−2
86,2 FmmK 0.681(25) × 10−13
84,4 V6JK − 0.1478(49) × 10−6
84,4 V6KK − 0.1176(36) × 10−5
84,4 V6bcJ 0.1847(14) × 10−8
84,4 V6ab3 0.9144(75) × 10−7
84,4 FmJJ 0.4298(95) × 10−13
84,4 (1∕2)P2{Pa, Pc}sin6α D6acJ − 0.1862(46) × 10−7
84,4 (1∕2)P2{Pb, Pc}sin6α D6bcJ − 0.2038(26) × 10−8
84,4 D6bcK 0.3900(54) × 10−7
84,4 D6acb2 0.2581(22) × 10−6
84,4 D6bcbc 0.4782(31) × 10−8
82,6 P6 (1 − cos 3α) V3JJJ − 0.3589(82) × 10−13
82,6 V3JJK 0.2083(16) × 10−11
82,6 V3KKK 0.1868(15) × 10−9
82,6 V3abJK 0.947(30) × 10−10
82,6 V3abKK 0.1404(31) × 10−9
82,6 V3bcJJ − 0.5997(82) × 10−13
82,6 V3ab3K 0.1597(40) × 10−9
82,6 D3acJK 0.3041(26) × 10−9
82,6 D3acKK − 0.3303(66) × 10−9
82,6 D3bcKK − 0.1690(29) × 10−9
82,6 D3acb2J 0.515(26) × 10−11
82,6 D3acb2K − 0.11050(85) × 10−8
82,6 D3acb4 0.751(33) × 10−11
82,6 D3b3c3 0.7895(50) × 10−12
82,6 FJJJ 0.1247(15) × 10−14
82,6 FJJK − 0.1329(24) × 10−12
82,6 FJKK − 0.4239(74) × 10−13
82,6 FbcJJ − 0.481(19) × 10−15
81,7 ρJJK − 0.1032(14) × 10−12
80,8 LK − 0.236(14) × 10−13
106,4 V9JK 0.688(18) × 10−6
106,4 V9KK 0.451(14) × 10−5
106,4 V9b2c2 − 0.1929(30) × 10−6
106,4 D9bcbc − 0.939(16) × 10−7
106,4 D9acb2 − 0.1002(29) × 10−6
106,4 D3bcmmK − 0.367(23) × 10−12
106,4 D6acmK 0.1826(42) × 10−9
104,6 V6KKK − 0.3958(44) × 10−9
104,6 V6b2c2J 0.2947(66) × 10−12
104,6 V6ab3K − 0.5058(85) × 10−10
104,6 D6acb2J − 0.877(21) × 10−11
102,8 V3b2c2JJ − 0.266(11) × 10−16
102,8 FJJJJ − 0.379(34) × 10−19
128,4 P4(1 − cos12α) V12JJ − 0.1888(33) × 10−6

Notes. an=t+r, where n is the total order of the operator, t is the order of the torsional part and r is the order of therotational part, respectively. The ordering scheme of Nakagawa et al. (1987)is used. b{A, B, C, D, E} = ABCDE + EDCBA. {A, B, C, D} = ABCD + DCBA. {A, B, C} = ABC + CBA. {A, B} = AB + BA. The product of the operator in the second column of a given row and the parameter in the third column of that row gives the term actually used in the torsion-rotation Hamiltonian of the program, except for F, ρ and ARAM, which occur in the Hamiltonianin the form . cThe parameter nomenclature is based on the subscript procedure of Xu et al. (2008). dValues of the parameters in units of cm−1, except for ρ, which is unitless. eStatistical uncertainties are given in parentheses as one standard uncertainty in units of the last digits.

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