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	hartrees
Energy at 0K	-214.369757
Energy at 298.15K	-214.369540
HF Energy	-214.369757
Nuclear repulsion energy	42.105247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	698	694	0.00
2	Σ_u	1561	1552	207.83
3	Π_u	318	317	130.91
3	Π_u	318	317	130.91

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
F2	0.000	0.000	1.414
F3	0.000	0.000	-1.414

	Be1	F2	F3
Be1		1.4139	1.4139
F2	1.4139		2.8278
F3	1.4139	2.8278

Number	Element	Mulliken
1	Be	0.438
2	F	-0.219
3	F	-0.219

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

using model chemistry: PBEPBEultrafine/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>	45.703
(<r²>)^1/2	6.760

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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