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	hartrees
Energy at 0K	-2870.990853
Energy at 298.15K	-2870.994910
HF Energy	-2870.990853
Nuclear repulsion energy	328.088193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	737	698	30.48
2	A₁	607	575	1.23
3	A₁	275	260	16.16
4	B₁	251	238	14.42
5	B₂	670	634	280.94
6	B₂	366	347	5.13

Atom	y (Å)	z (Å)
Br1	0.000	0.298
F2	0.000	-1.434
F3	1.803	0.137
F4	-1.803	0.137

	Br1	F2	F3	F4
Br1		1.7329	1.8102	1.8102
F2	1.7329		2.3916	2.3916
F3	1.8102	2.3916		3.6060
F4	1.8102	2.3916	3.6060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	84.879		F2	Br1	F4	84.879
F3	Br1	F4	169.758

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

using model chemistry: M06-2X/6-31G*

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	1.083
2	F	-0.289
3	F	-0.397
4	F	-0.397

	x	y	z	Total
	0.000	0.000	1.360	1.360
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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