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	hartrees
Energy at 0K	-1596.441824
Energy at 298.15K	-1596.441667
HF Energy	-1596.007597
Nuclear repulsion energy	173.296460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	276	263	0.00
2	Σ_u	424	406	210.83
3	Π_u	41	39	68.32
3	Π_u	41	39	68.32

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.518
Cl3	0.000	0.000	-2.518

	Ca1	Cl2	Cl3
Ca1		2.5177	2.5177
Cl2	2.5177		5.0354
Cl3	2.5177	5.0354

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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