Natural Chargea Natural Chargea Population in pzb Population in pzb Bond Orderc
q(S) q(N) (S) (N) P(S-N)
S2N2 0.85 -0.85 1.50 1.45 1.22
1Mo
S1 = 0.96 S2 = 0.94 N1 = -0.93 N2 = -0.87 S1 = 1.47 S2 = 1.46 N1 = 1.57 N2 = 1.42 N1‒S1 = N1‒S2 = 1.10 N2‒S2 = 1.25 N2‒S1 = 1.19
2Mo
S1 = S2 = 1.05
N1 = N2 = -0.93
S1 = S2 = 1.43
N1 = N2 = 1.54
N1‒S1 = N2‒S2 = 1.10 N1‒S2 = N2‒S1 = 1.13