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	hartrees
Energy at 0K	-677.370054
Energy at 298.15K	-677.370521
HF Energy	-677.254468
Nuclear repulsion energy	5.041196

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.100
H2	0.000	0.000	-1.999

	Ca1	H2
Ca1		2.0994
H2	2.0994

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

using model chemistry: QCISD/6-31G(2df,p)

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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