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	hartrees
Energy at 0K	-214.450003
Energy at 298.15K	-214.449987
HF Energy	-214.450003
Nuclear repulsion energy	43.145866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	726	697	0.00
2	Σ_u	1621	1556	407.92
3	Π_u	407	390	162.13
3	Π_u	407	390	162.13

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
F2	0.000	0.000	1.380
F3	0.000	0.000	-1.380

	Be1	F2	F3
Be1		1.3798	1.3798
F2	1.3798		2.7596
F3	1.3798	2.7596

Number	Element	Mulliken
1	Be	0.770
2	F	-0.385
3	F	-0.385

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

using model chemistry: PBE1PBE/TZVP

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>	44.164
(<r²>)^1/2	6.646

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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