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	hartrees
Energy at 0K	-2909.541307
Energy at 298.15K
HF Energy	-2908.635092
Nuclear repulsion energy	366.572912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1108	1067
2	A₁	765	737
3	A₁	350	336
4	E	1257	1210
4	E	1257	1210
5	E	554	533
5	E	554	533
6	E	309	298
6	E	309	298

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.815
Br2	0.000	0.000	1.123
F3	0.000	1.246	-1.275
F4	1.079	-0.623	-1.275
F5	-1.079	-0.623	-1.275

	C1	Br2	F3	F4	F5
C1		1.9379	1.3280	1.3280	1.3280
Br2	1.9379		2.7019	2.7019	2.7019
F3	1.3280	2.7019		2.1579	2.1579
F4	1.3280	2.7019	2.1579		2.1579
F5	1.3280	2.7019	2.1579	2.1579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.251	Br2	C1	F4	110.251
Br2	C1	F5	110.251	F3	C1	F4	108.680
F3	C1	F5	108.680	F4	C1	F5	108.680

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD(T)/6-311G*

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 CF3Br (Bromotrifluoromethane)

using model chemistry: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)