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	hartrees
Energy at 0K	-2909.903040
Energy at 298.15K	-2909.907476
HF Energy	-2908.771997
Nuclear repulsion energy	368.848010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1108	1052	517.48
2	A₁	774	735	42.61
3	A₁	362	344	0.15
4	E	1243	1180	271.77
4	E	1243	1180	271.77
5	E	557	529	1.52
5	E	557	529	1.52
6	E	311	295	0.01
6	E	311	295	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.814
Br2	0.000	0.000	1.114
F3	0.000	1.244	-1.263
F4	1.077	-0.622	-1.263
F5	-1.077	-0.622	-1.263

	C1	Br2	F3	F4	F5
C1		1.9286	1.3222	1.3222	1.3222
Br2	1.9286		2.6832	2.6832	2.6832
F3	1.3222	2.6832		2.1541	2.1541
F4	1.3222	2.6832	2.1541		2.1541
F5	1.3222	2.6832	2.1541	2.1541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	109.846	Br2	C1	F4	109.846
Br2	C1	F5	109.846	F3	C1	F4	109.094
F3	C1	F5	109.094	F4	C1	F5	109.094

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)