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== Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction ==

BDF Benchmark. These data are used to evalulate BDF and also benchmark CPU and compilers.

SCF energy and gradient calculated with ERI and Schwarz prescreeening

Molecule : DNA-1, cc-pvDZ basis sets from EMSL, optimized for general contraction

bdfbenchmark (last edited 2024-04-29 08:00:00 by bsuo)