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	hartrees
Energy at 0K	-678.231104
Energy at 298.15K	-678.231572
HF Energy	-678.231104
Nuclear repulsion energy	5.284810

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.095
H2	0.000	0.000	-1.907

	Ca1	H2
Ca1		2.0026
H2	2.0026

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.392
2	H	-0.392

	x	y	z	Total
	0.000	0.000	1.815	1.815
CHELPG
AIM
ESP

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

using model chemistry: B97D3/6-311+G(3df,2p)

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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<r²>	18.760
(<r²>)^1/2	4.331