XRQTC.Molpro_RCCSD
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Your Name: Albert Sole Your e-mail: [email protected] University/Organization: Universitat de Barcelona Application Name: Molpro 2009.1 Type of Benchmark: RCCSD(T) Benchmark Description: TS1 CH2=CH-CHO + HO -> HOCH2-CH-CHO RCCSD(T)/aug-cc-pVTZ