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	hartrees
Energy at 0K	-1598.190059
Energy at 298.15K
HF Energy	-1598.190059
Nuclear repulsion energy	176.400417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	282	269	0.00
2	Σ_u	428	409	216.69
3	Π_u	27i	25i	63.58
3	Π_u	27i	25i	63.58

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.473
Cl3	0.000	0.000	-2.473

	Ca1	Cl2	Cl3
Ca1		2.4734	2.4734
Cl2	2.4734		4.9468
Cl3	2.4734	4.9468

Number	Element	Mulliken
1	Ca	0.876
2	Cl	-0.438
3	Cl	-0.438

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

using model chemistry: M06-2X/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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<r²>	238.788
(<r²>)^1/2	15.453

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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