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	hartrees
Energy at 0K	-2873.582692
Energy at 298.15K	-2873.586654
Nuclear repulsion energy	326.965113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	691	664	39.96
2	A₁	561	539	2.84
3	A₁	240	231	13.84
4	B₁	256	246	15.32
5	B₂	631	607	305.15
6	B₂	354	341	3.30

Atom	y (Å)	z (Å)
Br1	0.000	0.286
F2	0.000	-1.447
F3	1.811	0.168
F4	-1.811	0.168

	Br1	F2	F3	F4
Br1		1.7335	1.8153	1.8153
F2	1.7335		2.4268	2.4268
F3	1.8153	2.4268		3.6229
F4	1.8153	2.4268	3.6229

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.255		F2	Br1	F4	86.255
F3	Br1	F4	172.511

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

using model chemistry: B3PW91/cc-pVTZ

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	0.929
2	F	-0.214
3	F	-0.358
4	F	-0.358

	x	y	z	Total
	0.000	0.000	1.328	1.328
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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