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	hartrees
Energy at 0K	-2859.765294
Energy at 298.15K	-2859.769022
Nuclear repulsion energy	314.988630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	602	599	20.18
2	A₁	541	537	1.28
3	A₁	187	186	7.41
4	B₁	254	252	11.89
5	B₂	655	650	136.64
6	B₂	277	275	2.55

Atom	y (Å)	z (Å)
Br1	0.000	0.273
F2	0.000	-1.554
F3	1.861	0.247
F4	-1.861	0.247

	Br1	F2	F3	F4
Br1		1.8265	1.8613	1.8613
F2	1.8265		2.5899	2.5899
F3	1.8613	2.5899		3.7223
F4	1.8613	2.5899	3.7223

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	89.219		F2	Br1	F4	89.219
F3	Br1	F4	178.437

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

using model chemistry: BLYP/3-21G*

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	0.754
2	F	-0.205
3	F	-0.274
4	F	-0.274

	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: BLYP/3-21G*

States and conformations

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