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	hartrees
Energy at 0K	-671.828279
Energy at 298.15K	-671.829515
HF Energy	-671.828279
Nuclear repulsion energy	10.463165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1611	1437	0.00
2	Σ_u	1635	1459	65.29
3	Π_u	363	324	302.38
3	Π_u	363	324	302.38

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
H2	0.000	0.000	2.048
H3	0.000	0.000	-2.048

	Ca1	H2	H3
Ca1		2.0483	2.0483
H2	2.0483		4.0966
H3	2.0483	4.0966

Number	Element	Mulliken
1	Ca	0.202
2	H	-0.101
3	H	-0.101

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

using model chemistry: B3LYP/STO-3G

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>	21.561
(<r²>)^1/2	4.643

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

using model chemistry: B3LYP/STO-3G

States and conformations

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