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	hartrees
Energy at 0K	-2873.773126
Energy at 298.15K	-2873.777062
Nuclear repulsion energy	323.462115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	680	654	28.92
2	A₁	571	549	2.29
3	A₁	234	225	14.96
4	B₁	252	242	16.83
5	B₂	664	639	245.94
6	B₂	331	318	4.68

Atom	y (Å)	z (Å)
Br1	0.000	0.293
F2	0.000	-1.473
F3	1.824	0.166
F4	-1.824	0.166

	Br1	F2	F3	F4
Br1		1.7658	1.8282	1.8282
F2	1.7658		2.4520	2.4520
F3	1.8282	2.4520		3.6477
F4	1.8282	2.4520	3.6477

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.019		F2	Br1	F4	86.019
F3	Br1	F4	172.038

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

using model chemistry: B1B95/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	Br	1.035
2	F	-0.265
3	F	-0.385
4	F	-0.385

	x	y	z	Total
	0.000	0.000	1.631	1.631
CHELPG
AIM
ESP

<r²>	103.927
(<r²>)^1/2	10.194

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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