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	hartrees
Energy at 0K	-1596.239446
Energy at 298.15K	-1596.239292
HF Energy	-1595.927034
Nuclear repulsion energy	166.723146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	249	240
2	Σ_u	402	387
3	Π_u	56	54
3	Π_u	56	54

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.617
Cl3	0.000	0.000	-2.617

	Ca1	Cl2	Cl3
Ca1		2.6169	2.6169
Cl2	2.6169		5.2337
Cl3	2.6169	5.2337

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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