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	hartrees
Energy at 0K	-2869.427546
Energy at 298.15K	-2869.431337
Nuclear repulsion energy	321.702529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	638	631	33.63
2	A₁	548	541	3.70
3	A₁	201	198	12.32
4	B₁	242	239	15.64
5	B₂	642	635	215.35
6	B₂	299	295	3.85

Atom	y (Å)	z (Å)
Br1	0.000	0.285
F2	0.000	-1.491
F3	1.833	0.192
F4	-1.833	0.192

	Br1	F2	F3	F4
Br1		1.7752	1.8352	1.8352
F2	1.7752		2.4881	2.4881
F3	1.8352	2.4881		3.6658
F4	1.8352	2.4881	3.6658

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	87.107		F2	Br1	F4	87.107
F3	Br1	F4	174.215

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

using model chemistry: LSDA/6-311G**

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	0.991
2	F	-0.261
3	F	-0.365
4	F	-0.365

	x	y	z	Total
	0.000	0.000	1.594	1.594
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/6-311G**

States and conformations

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