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	hartrees
Energy at 0K	-934.927182
Energy at 298.15K	-934.926654
HF Energy	-934.927182
Nuclear repulsion energy	82.281892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	394	392	0.00
2	Σ_u	1121	1114	401.54
3	Π_u	235	234	38.50
3	Π_u	235	234	38.50

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
Cl2	0.000	0.000	1.804
Cl3	0.000	0.000	-1.804

	Be1	Cl2	Cl3
Be1		1.8040	1.8040
Cl2	1.8040		3.6079
Cl3	1.8040	3.6079

Number	Element	Mulliken
1	Be	0.161
2	Cl	-0.081
3	Cl	-0.081

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

using model chemistry: PBEPBE/aug-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>	130.270
(<r²>)^1/2	11.414

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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