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	hartrees
Energy at 0K	-1598.382061
Energy at 298.15K
HF Energy	-1598.382061
Nuclear repulsion energy	176.661239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	277	273	0.00
2	Σ_u	414	408	239.26
3	Π_u	15i	15i	57.95
3	Π_u	15i	15i	57.95

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.470
Cl3	0.000	0.000	-2.470

	Ca1	Cl2	Cl3
Ca1		2.4697	2.4697
Cl2	2.4697		4.9395
Cl3	2.4697	4.9395

Number	Element	Mulliken
1	Ca	0.894
2	Cl	-0.447
3	Cl	-0.447

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

using model chemistry: B97D3/cc-pVTZ

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>	237.623
(<r²>)^1/2	15.415

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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