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	hartrees
Energy at 0K	-1.704851
Energy at 298.15K	-1.706150
HF Energy	-1.704851
Nuclear repulsion energy	1.113583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1265	1154	0.00
2	Σ_u	1228	1120	732.79
3	Π_u	364	332	810.29
3	Π_u	364	332	810.29

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
H2	0.000	0.000	2.138
H3	0.000	0.000	-2.138

	Ca1	H2	H3
Ca1		2.1384	2.1384
H2	2.1384		4.2768
H3	2.1384	4.2768

Number	Element	Mulliken
1	Ca	0.906
2	H	-0.453
3	H	-0.453

All results from a given calculation for CaH₂ (Calcium Hydride)

using model chemistry: HF/CEP-121G

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>	21.377
(<r²>)^1/2	4.624

All results from a given calculation for CaH2 (Calcium Hydride)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CaH₂ (Calcium Hydride)