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	hartrees
Energy at 0K	-7851.400146
Energy at 298.15K	-7851.408914
HF Energy	-7851.400146
Nuclear repulsion energy	975.199864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1067	1020	164.67
2	A₁	376	360	2.04
3	A₁	219	209	0.05
4	E	700	670	244.45
4	E	700	670	244.43
5	E	293	280	0.00
5	E	293	280	0.00
6	E	148	141	0.00
6	E	148	141	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.435
F2	0.000	0.000	1.818
Br3	0.000	1.865	-0.181
Br4	1.616	-0.933	-0.181
Br5	-1.616	-0.933	-0.181

	C1	F2	Br3	Br4	Br5
C1		1.3831	1.9643	1.9643	1.9643
F2	1.3831		2.7337	2.7337	2.7337
Br3	1.9643	2.7337		3.2310	3.2310
Br4	1.9643	2.7337	3.2310		3.2310
Br5	1.9643	2.7337	3.2310	3.2310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.252	F2	C1	Br4	108.252
F2	C1	Br5	108.252	Br3	C1	Br4	110.663
Br3	C1	Br5	110.663	Br4	C1	Br5	110.663

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.432
2	F	-0.225
3	Br	0.219
4	Br	0.219
5	Br	0.219

	x	y	z	Total
	0.000	0.000	-0.893	0.893
CHELPG
AIM
ESP

<r²>	440.147
(<r²>)^1/2	20.980

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)