Wat.g09

From Jingzhi Pu Lab
Revision as of 17:39, 27 February 2018 by Jingzhipu (talk | contribs) (Created page with "#hf/sto-3g opt=(MaxCycle=50) water dimer 0 1 o -1.239 1.280 -1.347 h -1.447 1.512 -0.417 h -0.355 1.683 -1.476 o -1.313 -1.454 -1.717 h -0.571 -1....")
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  1. hf/sto-3g opt=(MaxCycle=50)

water dimer

0 1 o -1.239 1.280 -1.347 h -1.447 1.512 -0.417 h -0.355 1.683 -1.476 o -1.313 -1.454 -1.717 h -0.571 -1.743 -1.147 h -1.291 -0.479 -1.597

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