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	hartrees
Energy at 0K	-2909.399366
Energy at 298.15K
HF Energy	-2908.576173
Nuclear repulsion energy	366.987888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1130	1071	541.24
2	A₁	777	737	48.87
3	A₁	355	337	0.05
4	E	1305	1237	308.34
4	E	1305	1237	308.35
5	E	563	533	3.04
5	E	563	533	3.04
6	E	312	296	0.07
6	E	312	296	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.817
Br2	0.000	0.000	1.122
F3	0.000	1.244	-1.273
F4	1.077	-0.622	-1.273
F5	-1.077	-0.622	-1.273

	C1	Br2	F3	F4	F5
C1		1.9387	1.3251	1.3251	1.3251
Br2	1.9387		2.6988	2.6988	2.6988
F3	1.3251	2.6988		2.1548	2.1548
F4	1.3251	2.6988	2.1548		2.1548
F5	1.3251	2.6988	2.1548	2.1548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.137	Br2	C1	F4	110.137
Br2	C1	F5	110.137	F3	C1	F4	108.797
F3	C1	F5	108.797	F4	C1	F5	108.797

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)