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	hartrees
Energy at 0K	-2909.730505
Energy at 298.15K
HF Energy	-2908.773813
Nuclear repulsion energy	372.332231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1191	1103	555.05
2	A₁	822	761	46.91
3	A₁	381	353	0.02
4	E	1344	1246	290.89
4	E	1344	1246	290.89
5	E	588	545	2.51
5	E	588	545	2.51
6	E	326	302	0.03
6	E	326	302	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
Br2	0.000	0.000	1.106
F3	0.000	1.226	-1.255
F4	1.062	-0.613	-1.255
F5	-1.062	-0.613	-1.255

	C1	Br2	F3	F4	F5
C1		1.9083	1.3070	1.3070	1.3070
Br2	1.9083		2.6607	2.6607	2.6607
F3	1.3070	2.6607		2.1234	2.1234
F4	1.3070	2.6607	2.1234		2.1234
F5	1.3070	2.6607	2.1234	2.1234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.286	Br2	C1	F4	110.286
Br2	C1	F5	110.286	F3	C1	F4	108.644
F3	C1	F5	108.644	F4	C1	F5	108.644

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)