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	hartrees
Energy at 0K	-674.531540
Energy at 298.15K	-674.532745
HF Energy	-674.494708
Nuclear repulsion energy	9.784343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1185	1115	0.00
2	Σ_u	1186	1116	153.72
3	Π_u	329	310	529.84
3	Π_u	329	310	529.84

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
H2	0.000	0.000	2.190
H3	0.000	0.000	-2.190

	Ca1	H2	H3
Ca1		2.1904	2.1904
H2	2.1904		4.3808
H3	2.1904	4.3808

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

using model chemistry: CISD/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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All results from a given calculation for CaH2 (Calcium Hydride)

using model chemistry: CISD/3-21G

States and conformations

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