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	hartrees
Energy at 0K	-1597.704544
Energy at 298.15K	-1597.704408
HF Energy	-1597.704544
Nuclear repulsion energy	168.260411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	252	242	0.00
2	Σ_u	407	391	85.94
3	Π_u	59	56	82.51
3	Π_u	59	56	82.51

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.593
Cl3	0.000	0.000	-2.593

	Ca1	Cl2	Cl3
Ca1		2.5930	2.5930
Cl2	2.5930		5.1861
Cl3	2.5930	5.1861

Number	Element	Mulliken
1	Ca	1.497
2	Cl	-0.749
3	Cl	-0.749

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

using model chemistry: HSEh1PBE/TZVP

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>	262.190
(<r²>)^1/2	16.192

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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