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	hartrees
Energy at 0K	-2909.851545
Energy at 298.15K
HF Energy	-2908.719944
Nuclear repulsion energy	365.946672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1102	1053
2	A₁	768	734
3	A₁	348	333
4	E	1239	1185
4	E	1239	1185
5	E	557	533
5	E	557	533
6	E	307	294
6	E	307	294

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.817
Br2	0.000	0.000	1.127
F3	0.000	1.245	-1.279
F4	1.079	-0.623	-1.279
F5	-1.079	-0.623	-1.279

	C1	Br2	F3	F4	F5
C1		1.9432	1.3285	1.3285	1.3285
Br2	1.9432		2.7087	2.7087	2.7087
F3	1.3285	2.7087		2.1573	2.1573
F4	1.3285	2.7087	2.1573		2.1573
F5	1.3285	2.7087	2.1573	2.1573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.359	Br2	C1	F4	110.359
Br2	C1	F5	110.359	F3	C1	F4	108.569
F3	C1	F5	108.569	F4	C1	F5	108.569

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)