Bond lengths | M06/LACVP* | Bond angles | M06/LACVP* | ||
---|---|---|---|---|---|
P1–Se1 | 2.10 | 2.20a | Se1–P1–S1 | 118.5 | 112.3a |
P1–S1 | 2.05 | 2.07a | S2–P2–Se2 | 118.7 | 112.2 |
S2–P2 | 2.01 | 2.07a | Se1–Cd–S1 | 79.1 | 83.5a |
Se2–P2 | 2.11 | 2.20a | S2–Cd–Se2 | 79.1 | 83.3a |
Cd–Se1 | 3.02 | 2.81a | Se1–Cd–Se2 | 159.4 | 124.9a |
Cd–S1 | 2.57 | 2.51a | S1–Cd–S2 | 124.0 | 119.6a |
Se2–Cd | 2.99 | 2.81a | Se2–Cd–S2 | 104.4 | 116.4a |
S2–Cd | 2.61 | 2.51a | S1–Cd–Se2 | 116.4 | 133.0a |