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	hartrees
Energy at 0K	-1597.970181
Energy at 298.15K	-1597.970041
HF Energy	-1597.970181
Nuclear repulsion energy	166.337359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	254	254	0.00
2	Σ_u	415	415	59.28
3	Π_u	56	56	95.55
3	Π_u	56	56	95.55

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.623
Cl3	0.000	0.000	-2.623

	Ca1	Cl2	Cl3
Ca1		2.6230	2.6230
Cl2	2.6230		5.2460
Cl3	2.6230	5.2460

Number	Element	Mulliken
1	Ca	1.443
2	Cl	-0.721
3	Cl	-0.721

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

using model chemistry: M06-2X/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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<r²>	268.903
(<r²>)^1/2	16.398

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

using model chemistry: M06-2X/6-31G

States and conformations

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