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	hartrees
Energy at 0K	-85.611346
Energy at 298.15K	-85.614904
Nuclear repulsion energy	67.525816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	585	561	15.13
2	A₁	490	469	2.33
3	A₁	173	166	19.96
4	B₁	212	203	27.40
5	B₂	602	577	186.22
6	B₂	268	257	3.17

Atom	y (Å)	z (Å)
Br1	0.000	0.313
F2	0.000	-1.557
F3	1.925	0.169
F4	-1.925	0.169

	Br1	F2	F3	F4
Br1		1.8703	1.9302	1.9302
F2	1.8703		2.5853	2.5853
F3	1.9302	2.5853		3.8497
F4	1.9302	2.5853	3.8497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.713		F2	Br1	F4	85.713
F3	Br1	F4	171.426

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

using model chemistry: B1B95/CEP-31G

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	-0.281
3	F	-0.414
4	F	-0.414

	x	y	z	Total
	0.000	0.000	2.192	2.192
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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