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	hartrees
Energy at 0K	-2906.856292
Energy at 298.15K	-2906.860661
HF Energy	-2906.063586
Nuclear repulsion energy	366.406703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1112	1048	510.09
2	A₁	759	715	50.94
3	A₁	351	330	0.29
4	E	1277	1203	262.26
4	E	1277	1203	262.26
5	E	543	512	2.45
5	E	543	512	2.45
6	E	308	290	0.04
6	E	308	290	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.824
Br2	0.000	0.000	1.123
F3	0.000	1.254	-1.273
F4	1.086	-0.627	-1.273
F5	-1.086	-0.627	-1.273

	C1	Br2	F3	F4	F5
C1		1.9477	1.3313	1.3313	1.3313
Br2	1.9477		2.7042	2.7042	2.7042
F3	1.3313	2.7042		2.1712	2.1712
F4	1.3313	2.7042	2.1712		2.1712
F5	1.3313	2.7042	2.1712	2.1712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	109.681	Br2	C1	F4	109.681
Br2	C1	F5	109.681	F3	C1	F4	109.261
F3	C1	F5	109.261	F4	C1	F5	109.261

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)