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	hartrees
Energy at 0K	-2906.829528
Energy at 298.15K
HF Energy	-2906.063675
Nuclear repulsion energy	365.872166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1131	1055	493.55
2	A₁	764	712	47.13
3	A₁	349	325	0.02
4	E	1301	1213	258.82
4	E	1301	1213	258.82
5	E	547	510	2.83
5	E	547	510	2.83
6	E	307	286	0.04
6	E	307	286	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.816
Br2	0.000	0.000	1.123
F3	0.000	1.251	-1.275
F4	1.083	-0.625	-1.275
F5	-1.083	-0.625	-1.275

	C1	Br2	F3	F4	F5
C1		1.9394	1.3324	1.3324	1.3324
Br2	1.9394		2.7048	2.7048	2.7048
F3	1.3324	2.7048		2.1666	2.1666
F4	1.3324	2.7048	2.1666		2.1666
F5	1.3324	2.7048	2.1666	2.1666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.141	Br2	C1	F4	110.141
Br2	C1	F5	110.141	F3	C1	F4	108.793
F3	C1	F5	108.793	F4	C1	F5	108.793

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD/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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All results from a given calculation for CF3Br (Bromotrifluoromethane)

using model chemistry: CCSD/6-31G**

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)