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	hartrees
Energy at 0K	-7773.996484
Energy at 298.15K	-7774.005149
HF Energy	-7773.996484
Nuclear repulsion energy	961.531401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1235	1102	124.36
2	A₁	418	373	7.32
3	A₁	222	198	0.29
4	E	768	685	203.08
4	E	768	685	203.09
5	E	308	275	0.17
5	E	308	275	0.17
6	E	149	133	0.14
6	E	149	133	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.454
F2	0.000	0.000	1.834
Br3	0.000	1.893	-0.183
Br4	1.639	-0.947	-0.183
Br5	-1.639	-0.947	-0.183

	C1	F2	Br3	Br4	Br5
C1		1.3793	1.9975	1.9975	1.9975
F2	1.3793		2.7661	2.7661	2.7661
Br3	1.9975	2.7661		3.2788	3.2788
Br4	1.9975	2.7661	3.2788		3.2788
Br5	1.9975	2.7661	3.2788	3.2788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.612	F2	C1	Br4	108.612
F2	C1	Br5	108.612	Br3	C1	Br4	110.316
Br3	C1	Br5	110.316	Br4	C1	Br5	110.316

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYP/STO-3G

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	-0.018
2	F	-0.031
3	Br	0.016
4	Br	0.016
5	Br	0.016

	x	y	z	Total
	0.000	0.000	0.564	0.564
CHELPG
AIM
ESP

<r²>	448.126
(<r²>)^1/2	21.169

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)