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	hartrees
Energy at 0K	-2910.309539
Energy at 298.15K
HF Energy	-2908.678703
Nuclear repulsion energy	368.687221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1110	1110
2	A₁	770	770
3	A₁	360	360
4	E	1235	1235
4	E	1235	1235
5	E	554	554
5	E	554	554
6	E	310	310
6	E	310	310

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.808
Br2	0.000	0.000	1.115
F3	0.000	1.240	-1.266
F4	1.074	-0.620	-1.266
F5	-1.074	-0.620	-1.266

	C1	Br2	F3	F4	F5
C1		1.9232	1.3224	1.3224	1.3224
Br2	1.9232		2.6854	2.6854	2.6854
F3	1.3224	2.6854		2.1484	2.1484
F4	1.3224	2.6854	2.1484		2.1484
F5	1.3224	2.6854	2.1484	2.1484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.290	Br2	C1	F4	110.290
Br2	C1	F5	110.290	F3	C1	F4	108.640
F3	C1	F5	108.640	F4	C1	F5	108.640

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

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

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)