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	hartrees
Energy at 0K	-7859.144503
Energy at 298.15K	-7859.153232
HF Energy	-7859.144503
Nuclear repulsion energy	977.422508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1042	1030	192.20
2	A₁	385	381	0.53
3	A₁	207	204	0.56
4	E	678	670	252.23
4	E	678	670	252.25
5	E	294	290	1.40
5	E	294	290	1.40
6	E	140	139	0.14
6	E	140	139	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.442
F2	0.000	0.000	1.787
Br3	0.000	1.865	-0.178
Br4	1.615	-0.933	-0.178
Br5	-1.615	-0.933	-0.178

	C1	F2	Br3	Br4	Br5
C1		1.3448	1.9656	1.9656	1.9656
F2	1.3448		2.7093	2.7093	2.7093
Br3	1.9656	2.7093		3.2305	3.2305
Br4	1.9656	2.7093	3.2305		3.2305
Br5	1.9656	2.7093	3.2305	3.2305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.399	F2	C1	Br4	108.399
F2	C1	Br5	108.399	Br3	C1	Br4	110.522
Br3	C1	Br5	110.522	Br4	C1	Br5	110.522

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/TZVP

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	0.023
2	F	-0.055
3	Br	0.011
4	Br	0.011
5	Br	0.011

	x	y	z	Total
	0.000	0.000	-0.485	0.485
CHELPG
AIM
ESP

<r²>	438.676
(<r²>)^1/2	20.945

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)