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loos
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srDFT_Ex
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SHA1
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Emmanuel Giner
3d3cc92cce
added the remaining singlets in AVTZ for ethylene
2018-12-14 00:26:14 +01:00
Emmanuel Giner
a4c6e402c9
added ethyelene and classified the data
2018-12-14 00:17:10 +01:00