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	hartrees
Energy at 0K	-1596.367754
Energy at 298.15K	-1596.367506
HF Energy	-1595.874800
Nuclear repulsion energy	173.408554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	277	262	0.00
2	Σ_u	428	405	147.50
3	Π_u	18	17	73.62
3	Π_u	18	17	73.62

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.516
Cl3	0.000	0.000	-2.516

	Ca1	Cl2	Cl3
Ca1		2.5161	2.5161
Cl2	2.5161		5.0321
Cl3	2.5161	5.0321

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

using model chemistry: CCD/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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All results from a given calculation for CaCl2 (Calcium Chloride)

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

States and conformations

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