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	hartrees
Energy at 0K	-1596.188065
Energy at 298.15K	-1596.187997
HF Energy	-1595.859554
Nuclear repulsion energy	171.513578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	274	266
2	Σ_u	446	433
3	Π_u	63	61
3	Π_u	63	61

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.544
Cl3	0.000	0.000	-2.544

	Ca1	Cl2	Cl3
Ca1		2.5438	2.5438
Cl2	2.5438		5.0876
Cl3	2.5438	5.0876

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

using model chemistry: CCSD(T)=FULL/6-31G*

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

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

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