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	hartrees
Energy at 0K	-2909.496074
Energy at 298.15K
HF Energy	-2908.603881
Nuclear repulsion energy	366.130859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1108	1069	474.31
2	A₁	752	725	31.35
3	A₁	361	348	0.22
4	E	1228	1185	250.37
4	E	1228	1185	250.37
5	E	540	521	1.49
5	E	540	521	1.49
6	E	309	298	0.00
6	E	309	298	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.805
Br2	0.000	0.000	1.120
F3	0.000	1.253	-1.273
F4	1.085	-0.627	-1.273
F5	-1.085	-0.627	-1.273

	C1	Br2	F3	F4	F5
C1		1.9247	1.3381	1.3381	1.3381
Br2	1.9247		2.7017	2.7017	2.7017
F3	1.3381	2.7017		2.1709	2.1709
F4	1.3381	2.7017	2.1709		2.1709
F5	1.3381	2.7017	2.1709	2.1709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.504	Br2	C1	F4	110.504
Br2	C1	F5	110.504	F3	C1	F4	108.419
F3	C1	F5	108.419	F4	C1	F5	108.419

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)