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	hartrees
Energy at 0K	-5742.369627
Energy at 298.15K
HF Energy	-5741.579838
Nuclear repulsion energy	739.870009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1189	1096	151.23
2	A'	898	828	186.73
3	A'	502	463	0.57
4	A'	370	341	0.14
5	A'	290	267	0.27
6	A'	174	160	0.05
7	A"	841	775	191.32
8	A"	336	309	0.19
9	A"	212	196	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.130	0.504	0.000
F2	-1.237	1.225	0.000
Cl3	1.236	1.590	0.000
Br4	-0.130	-0.587	1.583
Br5	-0.130	-0.587	-1.583

	C1	F2	Cl3	Br4	Br5
C1		1.3218	1.7452	1.9220	1.9220
F2	1.3218		2.4997	2.6488	2.6488
Cl3	1.7452	2.4997		3.0183	3.0183
Br4	1.9220	2.6488	3.0183		3.1653
Br5	1.9220	2.6488	3.0183	3.1653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.389	F2	C1	Br4	108.051
F2	C1	Br5	108.051	Cl3	C1	Br4	110.689
Cl3	C1	Br5	110.689	Br4	C1	Br5	110.860

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: CISD/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 CBr2ClF (dibromochlorofluoromethane)

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)