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	hartrees
Energy at 0K	-7772.906742
Energy at 298.15K
HF Energy	-7772.864428
Nuclear repulsion energy	965.683625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1241	1241	113.95
2	A₁	427	427	7.43
3	A₁	228	228	0.47
4	E	808	808	182.87
4	E	808	808	182.87
5	E	315	315	0.01
5	E	315	315	0.01
6	E	153	153	0.20
6	E	153	153	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.447
F2	0.000	0.000	1.828
Br3	0.000	1.885	-0.182
Br4	1.632	-0.942	-0.182
Br5	-1.632	-0.942	-0.182

	C1	F2	Br3	Br4	Br5
C1		1.3814	1.9869	1.9869	1.9869
F2	1.3814		2.7558	2.7558	2.7558
Br3	1.9869	2.7558		3.2644	3.2644
Br4	1.9869	2.7558	3.2644		3.2644
Br5	1.9869	2.7558	3.2644	3.2644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.461	F2	C1	Br4	108.461
F2	C1	Br5	108.461	Br3	C1	Br4	110.463
Br3	C1	Br5	110.463	Br4	C1	Br5	110.463

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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 CFBr3 (fluorotribromomethane)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)