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	hartrees
Energy at 0K	-1588.298214
Energy at 298.15K	-1588.298052
HF Energy	-1588.193459
Nuclear repulsion energy	163.713635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	241	235	0.00
2	Σ_u	395	384	56.77
3	Π_u	60	58	97.96
3	Π_u	60	58	97.96

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.665
Cl3	0.000	0.000	-2.665

	Ca1	Cl2	Cl3
Ca1		2.6651	2.6651
Cl2	2.6651		5.3301
Cl3	2.6651	5.3301

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

using model chemistry: CCD/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 CaCl2 (Calcium Chloride)

using model chemistry: CCD/3-21G

States and conformations

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