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	hartrees
Energy at 0K	-2866.920081
Energy at 298.15K	-2866.923940
Nuclear repulsion energy	324.633474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	679	666	32.21
2	A₁	580	569	2.51
3	A₁	211	207	9.25
4	B₁	248	243	10.77
5	B₂	660	648	213.04
6	B₂	312	307	3.02

Atom	y (Å)	z (Å)
Br1	0.000	0.285
F2	0.000	-1.471
F3	1.818	0.182
F4	-1.818	0.182

	Br1	F2	F3	F4
Br1		1.7563	1.8212	1.8212
F2	1.7563		2.4575	2.4575
F3	1.8212	2.4575		3.6366
F4	1.8212	2.4575	3.6366

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.754		F2	Br1	F4	86.754
F3	Br1	F4	173.507

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

using model chemistry: LSDA/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	0.882
2	F	-0.244
3	F	-0.319
4	F	-0.319

	x	y	z	Total
	0.000	0.000	1.217	1.217
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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