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	hartrees
Energy at 0K	-2870.970689
Energy at 298.15K	-2870.974504
HF Energy	-2870.970689
Nuclear repulsion energy	320.403243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	656	632	37.25
2	A₁	542	522	4.39
3	A₁	215	207	13.00
4	B₁	247	238	15.05
5	B₂	615	592	314.74
6	B₂	312	300	3.13

Atom	y (Å)	z (Å)
Br1	0.000	0.295
F2	0.000	-1.473
F3	1.845	0.163
F4	-1.845	0.163

	Br1	F2	F3	F4
Br1		1.7684	1.8502	1.8502
F2	1.7684		2.4662	2.4662
F3	1.8502	2.4662		3.6909
F4	1.8502	2.4662	3.6909

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.897		F2	Br1	F4	85.897
F3	Br1	F4	171.793

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

using model chemistry: TPSSh/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	0.976
2	F	-0.243
3	F	-0.366
4	F	-0.366

	x	y	z	Total
	0.000	0.000	1.338	1.338
CHELPG
AIM
ESP

<r²>	106.420
(<r²>)^1/2	10.316

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

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

States and conformations

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