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	hartrees
Energy at 0K	-2870.462579
Energy at 298.15K	-2870.466794
Nuclear repulsion energy	330.966022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	787	715	35.04
2	A₁	634	576	0.61
3	A₁	291	264	24.89
4	B₁	283	257	25.92
5	B₂	691	627	392.79
6	B₂	397	360	8.58

Atom	y (Å)	z (Å)
Br1	0.000	0.293
F2	0.000	-1.422
F3	1.789	0.141
F4	-1.789	0.141

	Br1	F2	F3	F4
Br1		1.7151	1.7952	1.7952
F2	1.7151		2.3752	2.3752
F3	1.7952	2.3752		3.5775
F4	1.7952	2.3752	3.5775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.127		F2	Br1	F4	85.127
F3	Br1	F4	170.254

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

using model chemistry: HF/cc-pVDZ

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	1.333
2	F	-0.328
3	F	-0.503
4	F	-0.503

	x	y	z	Total
	0.000	0.000	1.829	1.829
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/cc-pVDZ

States and conformations

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