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	hartrees
Energy at 0K	-2909.822208
Energy at 298.15K
HF Energy	-2908.720821
Nuclear repulsion energy	367.196722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1128	1068	535.93
2	A₁	783	742	42.39
3	A₁	356	338	0.00
4	E	1268	1201	300.89
4	E	1268	1201	300.89
5	E	567	537	2.33
5	E	567	537	2.33
6	E	313	296	0.03
6	E	313	296	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.814
Br2	0.000	0.000	1.123
F3	0.000	1.241	-1.275
F4	1.075	-0.620	-1.275
F5	-1.075	-0.620	-1.275

	C1	Br2	F3	F4	F5
C1		1.9366	1.3238	1.3238	1.3238
Br2	1.9366		2.6998	2.6998	2.6998
F3	1.3238	2.6998		2.1493	2.1493
F4	1.3238	2.6998	2.1493		2.1493
F5	1.3238	2.6998	2.1493	2.1493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.384	Br2	C1	F4	110.384
Br2	C1	F5	110.384	F3	C1	F4	108.543
F3	C1	F5	108.543	F4	C1	F5	108.543

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCSD=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=FULL/TZVP

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)