Reference Label	Details
CCCBDB a	R. 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 G3	G3 calculations