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	hartrees
Energy at 0K	-30.136820
Energy at 298.15K	-30.136661
HF Energy	-30.136820
Nuclear repulsion energy	10.680354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	243	219	0.00
2	Σ_u	392	353	84.65
3	Π_u	62	56	108.08
3	Π_u	62	56	108.08

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.601
Cl3	0.000	0.000	-2.601

	Ca1	Cl2	Cl3
Ca1		2.6012	2.6012
Cl2	2.6012		5.2024
Cl3	2.6012	5.2024

Number	Element	Mulliken
1	Ca	1.523
2	Cl	-0.762
3	Cl	-0.762

All results from a given calculation for CaCl₂ (Calcium Chloride)

using model chemistry: HF/CEP-31G

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>	125.280
(<r²>)^1/2	11.193

All results from a given calculation for CaCl2 (Calcium Chloride)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CaCl₂ (Calcium Chloride)