"Slipped" | "Constrained linear" | |
Distances (Å): | ||
C-O (1) | 1.1613 | 1.1606 |
C-O (1) | 1.1602 | 1.1606 |
C-O (2) | 1.1616 | 1.1608 |
C-O (2) | 1.1598 | 1.1608 |
Intermolecular | 3.1828 | 3.1884 |
Angles (degrees): | ||
O(1)C(1)O(2) | 84.1 | 90.0 |
C(2)O(2)C(1) | 138.5 | 180.0 |
HF Energies | -377.2947 | -377.2946 |
(Atomic Units) |