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	hartrees
Energy at 0K	-225.345173
Energy at 298.15K	-225.346461
HF Energy	-225.345173
Nuclear repulsion energy	61.766473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2699	2609	100.91
2	A₁	1171	1132	112.31
3	A₁	539	521	20.86
4	B₁	929	898	70.05
5	B₂	1422	1375	374.25
6	B₂	1099	1062	0.29

Atom	y (Å)	z (Å)
B1	0.000	0.458
H2	0.000	1.644
F3	1.129	-0.219
F4	-1.129	-0.219

	B1	H2	F3	F4
B1		1.1852	1.3165	1.3165
H2	1.1852		2.1778	2.1778
F3	1.3165	2.1778		2.2580
F4	1.3165	2.1778	2.2580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.951		H2	B1	F4	120.951
F3	B1	F4	118.099

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B3LYPultrafine/cc-pVTZ

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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Number	Element	Mulliken
1	B	0.386
2	H	-0.014
3	F	-0.186
4	F	-0.186

	x	y	z	Total
	0.000	0.000	0.868	0.868
CHELPG
AIM
ESP

	x	y	z
x	1.776	0.000	0.000
y	0.000	2.402	-0.005
z	0.000	-0.005	2.341

<r²>	37.708
(<r²>)^1/2	6.141

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)