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	hartrees
Energy at 0K	-675.096582
Energy at 298.15K	-675.097730
HF Energy	-675.096582
Nuclear repulsion energy	9.894598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1198	1187	0.00
2	Σ_u	1196	1185	195.79
3	Π_u	304	301	497.10
3	Π_u	304	301	497.10

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
H2	0.000	0.000	2.166
H3	0.000	0.000	-2.166

	Ca1	H2	H3
Ca1		2.1660	2.1660
H2	2.1660		4.3320
H3	2.1660	4.3320

Number	Element	Mulliken
1	Ca	0.453
2	H	-0.226
3	H	-0.226

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

using model chemistry: PBEPBE/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>	25.978
(<r²>)^1/2	5.097

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

using model chemistry: PBEPBE/3-21G

States and conformations

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