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	hartrees
Energy at 0K	-2909.509691
Energy at 298.15K
HF Energy	-2908.636160
Nuclear repulsion energy	368.141392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1142	1090	542.77
2	A₁	784	749	43.10
3	A₁	359	343	0.00
4	E	1292	1234	304.64
4	E	1292	1234	304.64
5	E	565	540	2.87
5	E	565	540	2.87
6	E	316	302	0.06
6	E	316	302	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.811
Br2	0.000	0.000	1.119
F3	0.000	1.240	-1.270
F4	1.074	-0.620	-1.270
F5	-1.074	-0.620	-1.270

	C1	Br2	F3	F4	F5
C1		1.9296	1.3221	1.3221	1.3221
Br2	1.9296		2.6910	2.6910	2.6910
F3	1.3221	2.6910		2.1476	2.1476
F4	1.3221	2.6910	2.1476		2.1476
F5	1.3221	2.6910	2.1476	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.301	Br2	C1	F4	110.301
Br2	C1	F5	110.301	F3	C1	F4	108.629
F3	C1	F5	108.629	F4	C1	F5	108.629

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)