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	hartrees
Energy at 0K	-935.339025
Energy at 298.15K	-935.338494
HF Energy	-935.339025
Nuclear repulsion energy	82.202337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	398	381	0.00
2	Σ_u	1146	1098	448.04
3	Π_u	233	223	46.43
3	Π_u	233	223	46.43

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
Cl2	0.000	0.000	1.806
Cl3	0.000	0.000	-1.806

	Be1	Cl2	Cl3
Be1		1.8057	1.8057
Cl2	1.8057		3.6114
Cl3	1.8057	3.6114

Number	Element	Mulliken
1	Be	0.157
2	Cl	-0.079
3	Cl	-0.079

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

using model chemistry: mPW1PW91/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>	130.162
(<r²>)^1/2	11.409

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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