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	hartrees
Energy at 0K	-677.916478
Energy at 298.15K	-677.916948
HF Energy	-677.916478
Nuclear repulsion energy	5.076430

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.099
H2	0.000	0.000	-1.986

	Ca1	H2
Ca1		2.0848
H2	2.0848

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.264
2	H	-0.264

	x	y	z	Total
	0.000	0.000	2.362	2.362
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/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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<r²>	19.862
(<r²>)^1/2	4.457