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	hartrees
Energy at 0K	-2909.964006
Energy at 298.15K
HF Energy	-2908.744060
Nuclear repulsion energy	367.796795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1110	1110
2	A₁	769	769
3	A₁	356	356
4	E	1245	1245
4	E	1245	1245
5	E	554	554
5	E	554	554
6	E	307	307
6	E	307	307

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.809
Br2	0.000	0.000	1.118
F3	0.000	1.243	-1.270
F4	1.077	-0.622	-1.270
F5	-1.077	-0.622	-1.270

	C1	Br2	F3	F4	F5
C1		1.9274	1.3258	1.3258	1.3258
Br2	1.9274		2.6919	2.6919	2.6919
F3	1.3258	2.6919		2.1536	2.1536
F4	1.3258	2.6919	2.1536		2.1536
F5	1.3258	2.6919	2.1536	2.1536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.311	Br2	C1	F4	110.311
Br2	C1	F5	110.311	F3	C1	F4	108.619
F3	C1	F5	108.619	F4	C1	F5	108.619

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)