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	hartrees
Energy at 0K	-2867.963848
Energy at 298.15K	-2867.968075
Nuclear repulsion energy	333.363739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	812	733	36.59
2	A₁	646	583	0.28
3	A₁	294	266	21.01
4	B₁	285	257	20.66
5	B₂	678	612	389.29
6	B₂	407	368	7.37

Atom	y (Å)	z (Å)
Br1	0.000	0.292
F2	0.000	-1.405
F3	1.779	0.134
F4	-1.779	0.134

	Br1	F2	F3	F4
Br1		1.6971	1.7861	1.7861
F2	1.6971		2.3523	2.3523
F3	1.7861	2.3523		3.5582
F4	1.7861	2.3523	3.5582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	84.919		F2	Br1	F4	84.919
F3	Br1	F4	169.838

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

using model chemistry: HF/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	1.351
2	F	-0.357
3	F	-0.497
4	F	-0.497

	x	y	z	Total
	0.000	0.000	1.508	1.508
CHELPG
AIM
ESP

<r²>	99.179
(<r²>)^1/2	9.959

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

using model chemistry: HF/6-31G**

States and conformations

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