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	hartrees
Energy at 0K	-178.031669
Energy at 298.15K	-178.040333
HF Energy	-178.031669
Nuclear repulsion energy	113.319782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	970	933	191.29
2	A₁	366	352	0.89
3	A₁	209	201	0.43
4	E	675	649	253.25
4	E	675	649	253.23
5	E	285	274	0.08
5	E	285	274	0.08
6	E	144	139	0.19
6	E	144	139	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.421
F2	0.000	0.000	1.827
Br3	0.000	1.907	-0.181
Br4	1.652	-0.954	-0.181
Br5	-1.652	-0.954	-0.181

	C1	F2	Br3	Br4	Br5
C1		1.4063	1.9999	1.9999	1.9999
F2	1.4063		2.7695	2.7695	2.7695
Br3	1.9999	2.7695		3.3034	3.3034
Br4	1.9999	2.7695	3.3034		3.3034
Br5	1.9999	2.7695	3.3034	3.3034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	107.515	F2	C1	Br4	107.515
F2	C1	Br5	107.515	Br3	C1	Br4	111.355
Br3	C1	Br5	111.355	Br4	C1	Br5	111.355

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B3LYP/SDD

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	-0.319
2	F	-0.144
3	Br	0.154
4	Br	0.154
5	Br	0.154

	x	y	z	Total
	0.000	0.000	-1.106	1.106
CHELPG
AIM
ESP

	x	y	z
x	9.882	0.000	0.000
y	0.000	9.882	-0.000
z	0.000	-0.000	4.547

<r²>	142.738
(<r²>)^1/2	11.947

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)