Table 7: Calculated vibrational energy levels (in cm−1) and comparison with available experimental results for DSi81Br ( ).

This workExpt. [8] This workExpt. [8]

(0,0,0)0.0(0,9,0)3316.96
(0,1,0)377.2375.87(0,1,7)3328.73
(0,0,1)435.4433.44(1,2,3)3331.483287.52
(0,2,0)754.5749.44(0,8,1)3347.95
(0,1,1)810.3804.70(2,1,1)3365.97
(0,0,2)867.4863.00(0,7,2)3385.94
(0,3,0)1131.11120.41(1,1,4)3394.50
(0,2,1)1185.21173.11(0,0,8)3404.45
(0,1,2)1240.91228.93(0,6,3)3430.85
(0,0,3)1296.21287.74(2,0,2)3442.10
(1,0,0)1344.71325.55(1,0,5)3462.55
(0,4,0)1505.51488.35(0,5,4)3480.95
(0,3,1)1558.11538.21(1,6,0)3503.643435.14
(0,2,2)1611.81591.74(0,4,5)3535.04
(0,1,3)1667.51648.49(1,5,1)3557.803496.22
(1,1,0)1710.21688.30(0,3,6)3593.33
(0,0,4)1722.61708.21(1,4,2)3615.413558.80
(1,0,1)1774.91753.76(2,3,0)3636.403578.93
(0,5,0)1876.71852.96(0,10,0)3638.85
(0,4,1)1927.51899.48(0,2,7)3658.95
(0,3,2)1979.21950.57(1,3,3)3676.393623.67
(0,2,3)2033.12005.19(0,9,1)3677.72
(1,2,0)2074.92047.70(2,2,1)3708.723658.01
(0,1,4)2089.52063.10(0,8,2)3715.75
(1,1,1)2136.62111.59(0,1,8)3732.91
(0,0,5)2147.3(1,2,4)3739.87
(1,0,2)2201.32178.17(3,0,0)3743.44
(0,6,0)2244.02213.29(0,7,3)3757.02
(0,5,1)2292.32256.47(2,1,2)3782.58
(0,4,2)2341.52304.82(0,6,4)3804.27
(0,3,3)2393.62357.25(1,1,5)3805.53
(1,3,0)2438.42403.33(0,0,9)3813.63
(0,2,4)2448.42413.45(1,7,0)3843.74
(1,2,1)2497.82465.64(0,5,5)3856.71
(0,1,5)2507.2(2,0,3)3859.58
(1,1,2)2559.82530.70(1,0,6)3878.06
(0,0,6)2570.0(1,6,1)3896.57
(2,0,0)2596.0(0,4,6)3919.12
(0,7,0)2607.02567.71(1,5,2)3954.23
(1,0,3)2624.42598.32(2,4,0)3974.673904.78
(0,6,1)2651.72607.55(0,3,7)3976.09
(0,5,2)2697.52653.40(1,4,3)4014.57
(0,4,3)2747.7(2,3,1)4046.993985.91
(1,4,0)2798.82754.28(0,2,8)4051.56
(0,3,4)2800.9(3,1,0)4070.65
(1,3,1)2856.12815.08(1,3,4)4076.68
(0,2,5)2857.9(2,2,2)4120.45
(1,2,2)2916.32878.97(1,2,5)4143.05
(0,1,6)2920.8(3,0,1)4163.28
(2,1,0)2945.5(2,1,3)4195.41
(0,8,0)2965.52911.19(1,1,6)4212.47
(1,1,3)2979.32945.37(0,0,10)4215.55
(0,0,7)2989.5(1,8,0)4224.77
(0,7,1)3004.8(2,0,4)4273.99
(2,0,1)3021.1(1,7,1)4283.27
(1,0,4)3044.63014.23(1,0,7)4290.27
(0,6,2)3046.32994.71(2,5,0)4304.184220.13
(0,5,3)3094.0(1,6,2)4343.48
(0,4,4)3145.7(2,4,1)4377.844304.76
(1,5,0)3154.63098.96(3,2,0)4392.57
(0,3,5)3200.8(1,5,3)4406.13
(1,4,1)3210.33159.24(2,3,2)4452.59
(0,2,6)3261.2(3,1,1)4485.40
(1,3,2)3269.03221.96(3,0,2)4579.21
(2,2,0)3292.5(4,0,0)4763.54