Vibrational energy observed (cm−1)g

Calc. from Equation (16)

Calc. from Equation (17)

4547

9150

8352

13,265

15,358

14,029

21,481

21,566

21,003

29,195

27,774

27,977

36,407

33,982

34,735

43,117

40,190

41,276

49,331

46,398

47,548

55,037

52,606

53,603

60,237

58,814

59,442

64,931

65,022

65,064

69,137

71,230

70,579

72,836

77,438

75,931