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Zero point vibrational energy:      2.135 au
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11Â¥2010-07-11 22:09:44
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1 au = 627.5 kcal/mol = 27.2 eV
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12Â¥2010-07-12 08:10:52
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qi-cheng

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231361Â¥: Originally posted by cmwangdft at 2010-07-06 21:32:25
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15Â¥2012-10-26 15:11:53
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12Â¥: Originally posted by zzy870720z at 2010-07-12 08:10:52
1 au = 627.5 kcal/mol = 27.2 eV

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16Â¥2013-07-03 08:43:56
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losenq

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15Â¥: Originally posted by 729267452lgl at 2012-10-26 15:11:53
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17Â¥: Originally posted by losenq at 2013-11-15 13:06:32
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8Â¥: Originally posted by cmwangdft at 2010-07-07 08:53:54
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19Â¥2014-05-19 09:51:17
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