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	hartrees
Energy at 0K	-677.841289
Energy at 298.15K	-677.841755
HF Energy	-677.841289
Nuclear repulsion energy	4.958990

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.102
H2	0.000	0.000	-2.033

	Ca1	H2
Ca1		2.1342
H2	2.1342

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.266
2	H	-0.266

	x	y	z	Total
	0.000	0.000	2.141	2.141
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/6-31G*

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>	20.192
(<r²>)^1/2	4.494