StochasticTriples/Data/cucl.dat
2024-05-25 18:24:40 +02:00

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# CuCl dissociation curve
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# R CCSD(T) Stochastic(1%) Error
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1.55 -2099.590506349950 -2099.58900041 1.2867E-03
1.65 -2099.671184187604 -2099.67111214 1.4130E-03
1.75 -2099.720045862965 -2099.72247666 1.8605E-03
1.85 -2099.747811193906 -2099.74783889 1.7384E-03
1.95 -2099.761752030920 -2099.76294620 1.5644E-03
2.05 -2099.766727898670 -2099.76607775 1.6396E-03
2.15 -2099.765956694308 -2099.76889281 2.0352E-03
2.25 -2099.761562105614 -2099.76003424 1.4932E-03
2.35 -2099.754944906474 -2099.75495657 1.8955E-03
2.45 -2099.747028328725 -2099.74878665 1.8202E-03
2.55 -2099.738451107727 -2099.73743548 1.6473E-03
2.65 -2099.729597826175 -2099.73119406 1.7203E-03
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