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	hartrees
Energy at 0K	-2906.315042
Energy at 298.15K
HF Energy	-2905.808515
Nuclear repulsion energy	356.859665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1078	1078	419.22
2	A₁	696	696	47.78
3	A₁	329	329	0.33
4	E	1227	1227	238.97
4	E	1227	1227	238.97
5	E	495	495	8.31
5	E	495	495	8.31
6	E	289	289	0.29
6	E	289	289	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.817
Br2	0.000	0.000	1.145
F3	0.000	1.292	-1.303
F4	1.119	-0.646	-1.303
F5	-1.119	-0.646	-1.303

	C1	Br2	F3	F4	F5
C1		1.9618	1.3806	1.3806	1.3806
Br2	1.9618		2.7678	2.7678	2.7678
F3	1.3806	2.7678		2.2384	2.2384
F4	1.3806	2.7678	2.2384		2.2384
F5	1.3806	2.7678	2.2384	2.2384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.602	Br2	C1	F4	110.602
Br2	C1	F5	110.602	F3	C1	F4	108.317
F3	C1	F5	108.317	F4	C1	F5	108.317

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)