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	hartrees
Energy at 0K	-2870.608674
Energy at 298.15K	-2870.612875
HF Energy	-2870.608674
Nuclear repulsion energy	334.002080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	785	713	44.63
2	A₁	608	552	0.44
3	A₁	299	272	25.33
4	B₁	283	257	25.42
5	B₂	628	571	473.85
6	B₂	419	381	9.72

Atom	y (Å)	z (Å)
Br1	0.000	0.289
F2	0.000	-1.395
F3	1.781	0.136
F4	-1.781	0.136

	Br1	F2	F3	F4
Br1		1.6845	1.7875	1.7875
F2	1.6845		2.3486	2.3486
F3	1.7875	2.3486		3.5618
F4	1.7875	2.3486	3.5618

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.077		F2	Br1	F4	85.077
F3	Br1	F4	170.155

All results from a given calculation for BrF₃ (Bromine trifluoride)

using model chemistry: HF/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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Number	Element	Mulliken
1	Br	1.109
2	F	-0.224
3	F	-0.443
4	F	-0.443

	x	y	z	Total
	0.000	0.000	1.656	1.656
CHELPG
AIM
ESP

<r²>	99.666
(<r²>)^1/2	9.983

All results from a given calculation for BrF3 (Bromine trifluoride)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for BrF₃ (Bromine trifluoride)