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	hartrees
Energy at 0K	-2870.489082
Energy at 298.15K	-2870.492980
HF Energy	-2870.489082
Nuclear repulsion energy	323.137095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	690	659	39.41
2	A₁	560	535	3.26
3	A₁	229	219	14.62
4	B₁	253	241	16.30
5	B₂	624	596	344.67
6	B₂	331	316	3.46

Atom	y (Å)	z (Å)
Br1	0.000	0.284
F2	0.000	-1.467
F3	1.834	0.181
F4	-1.834	0.181

	Br1	F2	F3	F4
Br1		1.7518	1.8366	1.8366
F2	1.7518		2.4653	2.4653
F3	1.8366	2.4653		3.6673
F4	1.8366	2.4653	3.6673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.758		F2	Br1	F4	86.758
F3	Br1	F4	173.516

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

using model chemistry: HSEh1PBE/6-31+G**

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	1.027
2	F	-0.254
3	F	-0.386
4	F	-0.386

	x	y	z	Total
	0.000	0.000	1.364	1.364
CHELPG
AIM
ESP

<r²>	105.018
(<r²>)^1/2	10.248

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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