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	hartrees
Energy at 0K	-934.972310
Energy at 298.15K	-934.971819
HF Energy	-934.972310
Nuclear repulsion energy	82.333301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	397	381	0.00
2	Σ_u	1159	1112	470.79
3	Π_u	247	237	47.02
3	Π_u	247	237	47.02

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
Cl2	0.000	0.000	1.803
Cl3	0.000	0.000	-1.803

	Be1	Cl2	Cl3
Be1		1.8028	1.8028
Cl2	1.8028		3.6057
Cl3	1.8028	3.6057

Number	Element	Mulliken
1	Be	0.504
2	Cl	-0.252
3	Cl	-0.252

All results from a given calculation for BeCl₂ (Beryllium chloride)

using model chemistry: PBE1PBE/TZVP

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 BeCl2 (Beryllium chloride)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for BeCl₂ (Beryllium chloride)