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33.3.4 Caffeine xyz
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33.3 Examples
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33.3.2 Allene in natural
33.3.3 Allene MP2 optimization
Input:
allene_optmp2.com
Output:
allene_optmp2.out
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000