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	hartrees
Energy at 0K	-214.459986
Energy at 298.15K	-214.459812
HF Energy	-214.459986
Nuclear repulsion energy	42.809103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	701	692	0.00
2	Σ_u	1522	1503	345.87
3	Π_u	338	334	140.40
3	Π_u	338	334	140.40

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
F2	0.000	0.000	1.388
F3	0.000	0.000	-1.388

	Be1	F2	F3
Be1		1.3879	1.3879
F2	1.3879		2.7758
F3	1.3879	2.7758

Number	Element	Mulliken
1	Be	0.506
2	F	-0.253
3	F	-0.253

All results from a given calculation for BeF₂ (Beryllium fluoride)

using model chemistry: PBEPBE/Def2TZVPP

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>	44.584
(<r²>)^1/2	6.677

All results from a given calculation for BeF2 (Beryllium fluoride)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for BeF₂ (Beryllium fluoride)