Table 8: Geometric properties for the two dimers using the B3LYP/6-311++G* (Numbers 1 and 2 in parentheses represent two CO2 molecules).
  "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)    


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