Config.

3d²4s²

3d³4s

3d³5s

Fit

C.C.

Fit

C.C.

Fit

C.C.

E_av

43,799 (94)

43,799^a

19,730 (30)

18,489

84,820 (42)

78,881

F² (3d, 3d)

62,037 (199)

60,288

54,057 (66)

54,104

57,330 (90)

55,519

F⁴ (3d, 3d)

38,140 (271)

37,703

31,693 (236)

33,596

34,978 (92)

34,544

G² (3d, ns)

8144 (43)

8207

1339 (35)

1523

ζ_3d

200 (17)

184

156 (10)

157

171 (10)

161

α

50 (1)

50 (1)

β

−130 (19)

−130 (19)

T_s

4 (11)

T₂

−45 (11)

T₃

−239 (13)

Config.

3d⁴

3d³4d

3d³5d

Fit

C.C.

Fit

C.C.

Fit

C.C.

E_av

18,687 (13)

17,691

89,766 (32)

83,105

103,174 (351)

100,986

F² (3d, 3d)

48,480 (56)

47,503

56,710 (118)

55,559

57,837 (360)

55,725

F⁴ (3d, 3d)

28,317 (72)

29,249

33,302 (178)

34,573

32,727 (330)

34,682

ζ_3d

138 (9)

131

166 (9)

161

166 (9)

161

ζ_nd

11 (6)

9

5 (3)

4

α

50 (1)

7 (1)

β

−130 (19)

−83 (16)

T₂

−45 (11)

T₃

−239 (13)

F² (3d, 4d)

4484 (98)

5238

1910 (82)

1847

F⁴ (3d, 4d)

2196 (99)

2230

864 (39)

826

G⁰ (3d,4d)

1923 (26)

2155

717 (10)

1247

G² (3d, 4d)

1551 (124)

1927

610 (50)

922

G⁴ (3d, 4d)

1900 (86)

1449

758 (34)

637