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	hartrees
Energy at 0K	-224.281334
Energy at 298.15K	-224.282647
Nuclear repulsion energy	61.712469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2835	2581	108.71
2	A₁	1183	1077	153.80
3	A₁	540	492	25.83
4	B₁	1003	913	98.84
5	B₂	1444	1315	441.61
6	B₂	1159	1055	4.16

Atom	y (Å)	z (Å)
B1	0.000	0.464
H2	0.000	1.650
F3	1.127	-0.221
F4	-1.127	-0.221

	B1	H2	F3	F4
B1		1.1858	1.3189	1.3189
H2	1.1858		2.1837	2.1837
F3	1.3189	2.1837		2.2549
F4	1.3189	2.1837	2.2549

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.260		H2	B1	F4	121.260
F3	B1	F4	117.479

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: HF/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.199	1.199
CHELPG
AIM
ESP

<r²>	37.732
(<r²>)^1/2	6.143

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)