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Input File

ccsdt eom H CL 1 R1*

R1=1.2745244

  • CFOUR(BASIS=PVDZ,CALC=CCSD(T)

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

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Page last modified on March 05, 2014, at 12:31 AM
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CFOUR is partially supported by the U.S. National Science Foundation.