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	hartrees
Energy at 0K	-677.960409
Energy at 298.15K	-677.960885
HF Energy	-677.960409
Nuclear repulsion energy	5.345444

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.094
H2	0.000	0.000	-1.886

	Ca1	H2
Ca1		1.9799
H2	1.9799

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.297
2	H	-0.297

	x	y	z	Total
	0.000	0.000	2.385	2.385
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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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<r²>	18.826
(<r²>)^1/2	4.339