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	hartrees
Energy at 0K	-1596.368806
Energy at 298.15K	-1596.368559
HF Energy	-1595.874744
Nuclear repulsion energy	173.702163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	277	261	0.00
2	Σ_u	430	404	144.47
3	Π_u	17	16	72.72
3	Π_u	17	16	72.72

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.512
Cl3	0.000	0.000	-2.512

	Ca1	Cl2	Cl3
Ca1		2.5118	2.5118
Cl2	2.5118		5.0236
Cl3	2.5118	5.0236

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

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