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	hartrees
Energy at 0K	-3067.772596
Energy at 298.15K	-3067.778115
HF Energy	-3066.683819
Nuclear repulsion energy	638.861750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	723	678	40.79
2	A₁	634	594	1.60
3	A₁	402	378	44.34
4	B₁	324	304	0.00
5	B₂	615	577	0.00
6	B₂	244	229	0.00
7	E	714	670	279.74
7	E	714	670	279.74
8	E	428	402	7.81
8	E	428	402	7.81
9	E	253	237	0.85
9	E	253	237	0.85

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.276
F2	0.000	0.000	-1.452
F3	0.000	1.768	0.094
F4	-1.768	0.000	0.094
F5	0.000	-1.768	0.094
F6	1.768	0.000	0.094

	Br1	F2	F3	F4	F5	F6
Br1		1.7282	1.7776	1.7776	1.7776	1.7776
F2	1.7282		2.3490	2.3490	2.3490	2.3490
F3	1.7776	2.3490		2.5007	3.5366	2.5007
F4	1.7776	2.3490	2.5007		2.5007	3.5366
F5	1.7776	2.3490	3.5366	2.5007		2.5007
F6	1.7776	2.3490	2.5007	3.5366	2.5007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.126	F2	Br1	F4	84.126
F2	Br1	F5	84.126	F2	Br1	F6	84.126
F3	Br1	F4	89.400	F3	Br1	F5	168.252
F3	Br1	F6	89.400	F4	Br1	F5	89.400
F4	Br1	F6	168.252	F5	Br1	F6	89.400

All results from a given calculation for BrF₅ (bromine pentafluoride)

using model chemistry: MP3=FULL/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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All results from a given calculation for BrF5 (bromine pentafluoride)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for BrF₅ (bromine pentafluoride)