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Last change
on this file since 4360a5 was 5d30c1, checked in by Frederik Heber <heber@…>, 13 years ago |
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Initial commit based on 3.0.0alpha (here claimed as 2.4).
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Property mode
set to
100644
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File size:
460 bytes
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| 1 | % Emacs should use -*- keyval -*- mode.
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| 2 |
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| 3 | molecule<Molecule>: (
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| 4 | symmetry=c2v
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| 5 | {atoms geometry} = {
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| 6 | H [ 1.5 0.0 -0.3 ]
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| 7 | O [ 0.0 0.0 1.0 ]
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| 8 | }
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| 9 | )
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| 10 |
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| 11 | xmolecule<Molecule>: (
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| 12 | {atoms geometry} = {
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| 13 | H [ 0.0 0.0 1.0 ]
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| 14 | H [ 0.0 0.0 -1.0 ]
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| 15 | }
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| 16 | )
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| 17 |
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| 18 | ymolecule<Molecule>: (
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| 19 | {atoms geometry} = {
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| 20 | H [ 0.0 1.0 0.0 ]
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| 21 | H [ 0.866025403 -0.5 0.0 ]
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| 22 | H [ -0.866025403 -0.5 0.0 ]
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| 23 | }
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| 24 | )
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