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	hartrees
Energy at 0K	-1598.219051
Energy at 298.15K	-1598.218954
HF Energy	-1598.219051
Nuclear repulsion energy	170.764609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	259	255	0.00
2	Σ_u	418	411	144.11
3	Π_u	65	64	74.32
3	Π_u	65	64	74.32

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.555
Cl3	0.000	0.000	-2.555

	Ca1	Cl2	Cl3
Ca1		2.5550	2.5550
Cl2	2.5550		5.1100
Cl3	2.5550	5.1100

Number	Element	Mulliken
1	Ca	1.143
2	Cl	-0.571
3	Cl	-0.571

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

using model chemistry: B97D3/6-31+G**

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>	254.566
(<r²>)^1/2	15.955

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

using model chemistry: B97D3/6-31+G**

States and conformations

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