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	hartrees
Energy at 0K	-2855.644451
Energy at 298.15K	-2855.648343
Nuclear repulsion energy	324.648248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	681	669	24.57
2	A₁	603	592	1.10
3	A₁	200	197	8.15
4	B₁	260	255	11.64
5	B₂	724	711	155.67
6	B₂	295	289	3.19

Atom	y (Å)	z (Å)
Br1	0.000	0.275
F2	0.000	-1.497
F3	1.808	0.214
F4	-1.808	0.214

	Br1	F2	F3	F4
Br1		1.7721	1.8090	1.8090
F2	1.7721		2.4894	2.4894
F3	1.8090	2.4894		3.6159
F4	1.8090	2.4894	3.6159

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.074		F2	Br1	F4	88.074
F3	Br1	F4	176.148

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

using model chemistry: LSDA/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	0.739
2	F	-0.201
3	F	-0.269
4	F	-0.269

	x	y	z	Total
	0.000	0.000	1.211	1.211
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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