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	hartrees
Energy at 0K	-1597.581505
Energy at 298.15K
HF Energy	-1597.581505
Nuclear repulsion energy	177.110279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	278	275	0.00
2	Σ_u	420	416	251.56
3	Π_u	22i	22i	68.45
3	Π_u	22i	22i	68.45

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.463
Cl3	0.000	0.000	-2.463

	Ca1	Cl2	Cl3
Ca1		2.4635	2.4635
Cl2	2.4635		4.9269
Cl3	2.4635	4.9269

Number	Element	Mulliken
1	Ca	1.227
2	Cl	-0.614
3	Cl	-0.614

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

using model chemistry: PBEPBE/6-311G**

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>	237.918
(<r²>)^1/2	15.425

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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