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	hartrees
Energy at 0K	-1597.652112
Energy at 298.15K	-1597.651914
HF Energy	-1597.652112
Nuclear repulsion energy	174.560459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	279	268	0.00
2	Σ_u	436	417	141.79
3	Π_u	27	26	67.84
3	Π_u	27	26	67.84

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.499
Cl3	0.000	0.000	-2.499

	Ca1	Cl2	Cl3
Ca1		2.4995	2.4995
Cl2	2.4995		4.9989
Cl3	2.4995	4.9989

Number	Element	Mulliken
1	Ca	1.270
2	Cl	-0.635
3	Cl	-0.635

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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>	243.524
(<r²>)^1/2	15.605

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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