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	hartrees
Energy at 0K	-675.381344
Energy at 298.15K	-675.382454
HF Energy	-675.381344
Nuclear repulsion energy	9.993454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1272	1224	0.00
2	Σ_u	1262	1214	269.67
3	Π_u	285	274	726.89
3	Π_u	285	274	726.89

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
H2	0.000	0.000	2.145
H3	0.000	0.000	-2.145

	Ca1	H2	H3
Ca1		2.1446	2.1446
H2	2.1446		4.2891
H3	2.1446	4.2891

Number	Element	Mulliken
1	Ca	0.275
2	H	-0.137
3	H	-0.137

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

using model chemistry: B3LYP/3-21G*

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>	25.610
(<r²>)^1/2	5.061

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

using model chemistry: B3LYP/3-21G*

States and conformations

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