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	hartrees
Energy at 0K	-213.235735
Energy at 298.15K	-213.235426
HF Energy	-213.235735
Nuclear repulsion energy	43.048199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	781	750	0.00
2	Σ_u	1747	1677	171.62
3	Π_u	269	258	130.57
3	Π_u	269	258	130.57

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
F2	0.000	0.000	1.383
F3	0.000	0.000	-1.383

	Be1	F2	F3
Be1		1.3829	1.3829
F2	1.3829		2.7659
F3	1.3829	2.7659

Number	Element	Mulliken
1	Be	0.674
2	F	-0.337
3	F	-0.337

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

using model chemistry: HSEh1PBE/3-21G*

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>	43.949
(<r²>)^1/2	6.629

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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