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ccsdt eom H CL 1 R1*

R1=1.2745244

  • CFOUR(BASIS=PVDZ,CALC=CCSD(T)

SYM=ON FROZEN_CORE=ON SCF_CONV=11 CC_CONV=11 CONV=1 LINEQ_CONV=11 FCGRADNEW=NEW CONTRACTION=UNCONTRACTED)

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Page last modified on March 04, 2014, at 11:37 PM
CFOUR is partially supported by the U.S. National Science Foundation.