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•- has been calculated at the MP2/6-311+G-(d.p) level using the geometry of neutral hydrogen peroxide, 4.
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79
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85087250406
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1 symmetry).
-
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80
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33749428042
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note
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An asymmetrical starting geometry and the NOSYMM GAUSSIAN keyword were used to remove the symmetry constraints in the SCF part.
-
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-
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81
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85087250041
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note
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-1), while the other calculations predict 6 to be a minimum.
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