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	hartrees
Energy at 0K	-677.282779
Energy at 298.15K	-677.283245
HF Energy	-677.282779
Nuclear repulsion energy	4.872656

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.103
H2	0.000	0.000	-2.069

	Ca1	H2
Ca1		2.1720
H2	2.1720

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.574
2	H	-0.574

	x	y	z	Total
	0.000	0.000	3.721	3.721
CHELPG
AIM
ESP

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

using model chemistry: ROHF/TZVP

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>	20.454
(<r²>)^1/2	4.523