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	hartrees
Energy at 0K	-1598.048682
Energy at 298.15K	-1598.048567
HF Energy	-1598.048682
Nuclear repulsion energy	170.771969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	265	263	0.00
2	Σ_u	429	425	114.12
3	Π_u	57	57	68.37
3	Π_u	57	57	68.37

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.557
Cl3	0.000	0.000	-2.557

	Ca1	Cl2	Cl3
Ca1		2.5571	2.5571
Cl2	2.5571		5.1142
Cl3	2.5571	5.1142

Number	Element	Mulliken
1	Ca	1.102
2	Cl	-0.551
3	Cl	-0.551

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

using model chemistry: BLYP/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>	253.937
(<r²>)^1/2	15.935

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

using model chemistry: BLYP/6-31G*

States and conformations

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