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	hartrees
Energy at 0K	-2906.720524
Energy at 298.15K
HF Energy	-2906.065454
Nuclear repulsion energy	368.929325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1173	1086	538.90
2	A₁	793	735	51.56
3	A₁	365	338	0.00
4	E	1346	1246	276.51
4	E	1346	1246	276.51
5	E	566	524	3.21
5	E	566	524	3.21
6	E	319	295	0.05
6	E	319	295	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.809
Br2	0.000	0.000	1.114
F3	0.000	1.240	-1.265
F4	1.074	-0.620	-1.265
F5	-1.074	-0.620	-1.265

	C1	Br2	F3	F4	F5
C1		1.9229	1.3214	1.3214	1.3214
Br2	1.9229		2.6829	2.6829	2.6829
F3	1.3214	2.6829		2.1479	2.1479
F4	1.3214	2.6829	2.1479		2.1479
F5	1.3214	2.6829	2.1479	2.1479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.198	Br2	C1	F4	110.198
Br2	C1	F5	110.198	F3	C1	F4	108.735
F3	C1	F5	108.735	F4	C1	F5	108.735

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: CISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)