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	hartrees
Energy at 0K	-2910.245186
Energy at 298.15K
HF Energy	-2908.679972
Nuclear repulsion energy	370.513989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1151	1151	498.46
2	A₁	796	796	40.50
3	A₁	369	369	0.03
4	E	1288	1288	256.25
4	E	1288	1288	256.25
5	E	570	570	1.61
5	E	570	570	1.61
6	E	318	318	0.00
6	E	318	318	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.807
Br2	0.000	0.000	1.112
F3	0.000	1.232	-1.262
F4	1.067	-0.616	-1.262
F5	-1.067	-0.616	-1.262

	C1	Br2	F3	F4	F5
C1		1.9187	1.3129	1.3129	1.3129
Br2	1.9187		2.6739	2.6739	2.6739
F3	1.3129	2.6739		2.1333	2.1333
F4	1.3129	2.6739	2.1333		2.1333
F5	1.3129	2.6739	2.1333	2.1333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.261	Br2	C1	F4	110.261
Br2	C1	F5	110.261	F3	C1	F4	108.670
F3	C1	F5	108.670	F4	C1	F5	108.670

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)