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	hartrees
Energy at 0K	-677.333467
Energy at 298.15K	-677.333937
HF Energy	-677.303436
Nuclear repulsion energy	5.151286

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.098
H2	0.000	0.000	-1.957

	Ca1	H2
Ca1		2.0544
H2	2.0544

All results from a given calculation for CaH (Calcium monohydride)

using model chemistry: QCISD(T)/cc-pVDZ

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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