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	hartrees
Energy at 0K	-2876.315528
Energy at 298.15K
HF Energy	-2876.198073
Nuclear repulsion energy	354.398908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1139	1013	241.81
2	A₁	726	645	49.76
3	A₁	362	322	0.03
4	E	1370	1218	117.61
4	E	1370	1218	117.61
5	E	498	442	7.92
5	E	498	442	7.92
6	E	294	261	0.93
6	E	294	261	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.830
Br2	0.000	0.000	1.155
F3	0.000	1.299	-1.312
F4	1.125	-0.649	-1.312
F5	-1.125	-0.649	-1.312

	C1	Br2	F3	F4	F5
C1		1.9853	1.3851	1.3851	1.3851
Br2	1.9853		2.7881	2.7881	2.7881
F3	1.3851	2.7881		2.2492	2.2492
F4	1.3851	2.7881	2.2492		2.2492
F5	1.3851	2.7881	2.2492	2.2492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.362	Br2	C1	F4	110.362
Br2	C1	F5	110.362	F3	C1	F4	108.566
F3	C1	F5	108.566	F4	C1	F5	108.566

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)