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	hartrees
Energy at 0K	-935.338590
Energy at 298.15K	-935.338070
HF Energy	-935.338590
Nuclear repulsion energy	82.045096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	394	383	0.00
2	Σ_u	1133	1099	433.27
3	Π_u	239	232	42.59
3	Π_u	239	232	42.59

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
Cl2	0.000	0.000	1.809
Cl3	0.000	0.000	-1.809

	Be1	Cl2	Cl3
Be1		1.8092	1.8092
Cl2	1.8092		3.6184
Cl3	1.8092	3.6184

Number	Element	Mulliken
1	Be	0.137
2	Cl	-0.069
3	Cl	-0.069

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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>	130.624
(<r²>)^1/2	11.429

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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