National Institute of Standards and Technology
 Computational Chemistry Comparison and Benchmark DataBase Release 22 May 2022 NIST Standard Reference Database 101
 I Introduction II Experimental data III Calculated data IV Data comparisons V Cost comparisons VI Input and output files VII Tutorials and Units VIII Links to other sites IX Feedback X Older CCCBDB versions XII Geometries XIII Vibrations XIV Reaction data XV Entropy data XVI Bibliographic data XVII Ion data XVIII Bad calculations XIX Index of properties XX H-bond dimers XXI Oddities

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# Completed calculations for O- (Oxygen atom anion)

Methods and basis sets for which an energy has been calculated. "e" indicates just an energy has been calculated. "o" indicates an optimized geometry. "v" indicates vibrational frequencies. "s" followed by a number indicates completed calculations for different states (for example s1ov). "c" followed by a number indicates completed calculations for different conformations (for example c2ov).
See the Calculated Energies page (section III.A.1) for more calculated properties.
semi-empirical o e e e e e e e e

STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

CEP-31G o o o o

cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ e e e e e e e e e e e e
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.