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	hartrees
Energy at 0K	-2909.291865
Energy at 298.15K
HF Energy	-2908.577179
Nuclear repulsion energy	369.478453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1166	1074	587.62
2	A₁	800	738	49.50
3	A₁	371	342	0.00
4	E	1338	1233	328.95
4	E	1338	1233	328.95
5	E	577	532	3.35
5	E	577	532	3.35
6	E	322	297	0.07
6	E	322	297	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.808
Br2	0.000	0.000	1.114
F3	0.000	1.237	-1.264
F4	1.071	-0.618	-1.264
F5	-1.071	-0.618	-1.264

	C1	Br2	F3	F4	F5
C1		1.9223	1.3178	1.3178	1.3178
Br2	1.9223		2.6802	2.6802	2.6802
F3	1.3178	2.6802		2.1418	2.1418
F4	1.3178	2.6802	2.1418		2.1418
F5	1.3178	2.6802	2.1418	2.1418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.228	Br2	C1	F4	110.228
Br2	C1	F5	110.228	F3	C1	F4	108.704
F3	C1	F5	108.704	F4	C1	F5	108.704

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)