Reference Label Details
CCCBDB aR. D. Johnson III, U. Richter, A. Manichaikul, B. Schneider, C. Acevado, and B. Cockrell, NIST Computational Chemistry Comparison and Benchmark Database, NIST Std. Ref. Database Number 101, Release 2005-05-11, http://srdata.nist.gov/cccbdb, with superfluous S.O. corrections
Ruscic G3G3 calculations