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	hartrees
Energy at 0K	-225.210829
Energy at 298.15K	-225.212086
Nuclear repulsion energy	61.250084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2733	2619	82.87
2	A₁	1134	1087	116.33
3	A₁	510	488	20.06
4	B₁	924	885	61.23
5	B₂	1379	1321	392.09
6	B₂	1073	1028	1.11

Atom	y (Å)	z (Å)
B1	0.000	0.467
H2	0.000	1.660
F3	1.137	-0.222
F4	-1.137	-0.222

	B1	H2	F3	F4
B1		1.1929	1.3288	1.3288
H2	1.1929		2.1980	2.1980
F3	1.3288	2.1980		2.2731
F4	1.3288	2.1980	2.2731

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.206		H2	B1	F4	121.206
F3	B1	F4	117.589

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: mPW1PW91/aug-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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Number	Element	Mulliken
1	B	0.396
2	H	0.345
3	F	-0.370
4	F	-0.370

	x	y	z	Total
	0.000	0.000	1.000	1.000
CHELPG
AIM
ESP

<r²>	38.160
(<r²>)^1/2	6.177

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)