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	hartrees
Energy at 0K	-2906.900568
Energy at 298.15K
HF Energy	-2906.089323
Nuclear repulsion energy	366.403902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1088	1021	514.26
2	A₁	748	703	39.18
3	A₁	357	335	0.00
4	E	1207	1134	286.06
4	E	1207	1134	286.06
5	E	534	502	1.78
5	E	534	502	1.78
6	E	308	289	0.00
6	E	308	289	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
Br2	0.000	0.000	1.117
F3	0.000	1.256	-1.270
F4	1.088	-0.628	-1.270
F5	-1.088	-0.628	-1.270

	C1	Br2	F3	F4	F5
C1		1.9154	1.3417	1.3417	1.3417
Br2	1.9154		2.6975	2.6975	2.6975
F3	1.3417	2.6975		2.1755	2.1755
F4	1.3417	2.6975	2.1755		2.1755
F5	1.3417	2.6975	2.1755	2.1755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.589	Br2	C1	F4	110.589
Br2	C1	F5	110.589	F3	C1	F4	108.331
F3	C1	F5	108.331	F4	C1	F5	108.331

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

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

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)