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	hartrees
Energy at 0K	-2906.897117
Energy at 298.15K	-2906.901519
HF Energy	-2906.090661
Nuclear repulsion energy	367.090166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1123	1046	500.08
2	A₁	765	712	42.97
3	A₁	358	333	0.08
4	E	1263	1177	277.23
4	E	1263	1177	277.24
5	E	546	508	2.46
5	E	546	508	2.46
6	E	311	290	0.01
6	E	311	290	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.817
Br2	0.000	0.000	1.123
F3	0.000	1.249	-1.274
F4	1.081	-0.624	-1.274
F5	-1.081	-0.624	-1.274

	C1	Br2	F3	F4	F5
C1		1.9393	1.3298	1.3298	1.3298
Br2	1.9393		2.7023	2.7023	2.7023
F3	1.3298	2.7023		2.1628	2.1628
F4	1.3298	2.7023	2.1628		2.1628
F5	1.3298	2.7023	2.1628	2.1628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.112	Br2	C1	F4	110.112
Br2	C1	F5	110.112	F3	C1	F4	108.823
F3	C1	F5	108.823	F4	C1	F5	108.823

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)