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	hartrees
Energy at 0K	-2909.530810
Energy at 298.15K
HF Energy	-2908.602336
Nuclear repulsion energy	364.526894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1074	1034
2	A₁	732	704
3	A₁	353	340
4	E	1186	1141
4	E	1186	1141
5	E	527	507
5	E	527	507
6	E	303	291
6	E	303	291

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.806
Br2	0.000	0.000	1.124
F3	0.000	1.260	-1.278
F4	1.092	-0.630	-1.278
F5	-1.092	-0.630	-1.278

	C1	Br2	F3	F4	F5
C1		1.9301	1.3458	1.3458	1.3458
Br2	1.9301		2.7125	2.7125	2.7125
F3	1.3458	2.7125		2.1831	2.1831
F4	1.3458	2.7125	2.1831		2.1831
F5	1.3458	2.7125	2.1831	2.1831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.523	Br2	C1	F4	110.523
Br2	C1	F5	110.523	F3	C1	F4	108.399
F3	C1	F5	108.399	F4	C1	F5	108.399

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)