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	hartrees
Energy at 0K	-2023.288745
Energy at 298.15K
HF Energy	-2022.824276
Nuclear repulsion energy	83.882263

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.396
F2	0.000	0.000	-1.364

	Ga1	F2
Ga1		1.7601
F2	1.7601

All results from a given calculation for GaF (Gallium monofluoride)

using model chemistry: CCSD=FULL/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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