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	hartrees
Energy at 0K	-1598.145372
Energy at 298.15K	-1598.145314
HF Energy	-1598.145372
Nuclear repulsion energy	172.241672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	273	260	0.00
2	Σ_u	440	419	154.06
3	Π_u	65	62	78.12
3	Π_u	65	62	78.12

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
Cl2	0.000	0.000	2.533
Cl3	0.000	0.000	-2.533

	Ca1	Cl2	Cl3
Ca1		2.5331	2.5331
Cl2	2.5331		5.0662
Cl3	2.5331	5.0662

Number	Element	Mulliken
1	Ca	1.147
2	Cl	-0.574
3	Cl	-0.574

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

using model chemistry: mPW1PW91/6-31+G**

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>	250.696
(<r²>)^1/2	15.833

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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