Clusters Para. Method Exp.
B3PW91 BP86 PBE PW91 B3LYP
Al2 r 2.48 2.50 2.49 2.49 2.76 2.70 a
ω 344.55 334.09 341.68 340.42 253.77 286 a
F2 r 1.40 1.43 1.43 1.43 1.41 1.31 b
ω 1005.07 921.01 920.68 923.45 981.67 1032.6 b
Cl2 r 2.03 2.06 2.05 2.06 2.03 1.99 c
ω 534.48 496.61 503.33 501.95 518.72 559.7 c
AlF r 1.70 1.72 1.72 1.71 1.71 1.64 d
ω 754.70 727.93 726.47 729.77 749.92 786.37 d
AlCl r 2.16 2.18 2.17 2.17 2.17 2.13 e
ω 461.16 445.81 448.63 449.86 459.53 481.3 e