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	hartrees
Energy at 0K	-5737.803998
Energy at 298.15K
HF Energy	-5736.898058
Nuclear repulsion energy	740.430921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1163	1102	127.67
2	A'	855	810	174.09
3	A'	479	454	0.50
4	A'	358	339	0.16
5	A'	282	267	0.10
6	A'	172	163	0.03
7	A"	822	779	169.54
8	A"	327	310	0.37
9	A"	204	193	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.132	0.495	0.000
F2	-1.247	1.226	0.000
Cl3	1.249	1.596	0.000
Br4	-0.132	-0.588	1.574
Br5	-0.132	-0.588	-1.574

	C1	F2	Cl3	Br4	Br5
C1		1.3326	1.7662	1.9105	1.9105
F2	1.3326		2.5233	2.6472	2.6472
Cl3	1.7662	2.5233		3.0254	3.0254
Br4	1.9105	2.6472	3.0254		3.1479
Br5	1.9105	2.6472	3.0254	3.1479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.225	F2	C1	Br4	108.097
F2	C1	Br5	108.097	Cl3	C1	Br4	110.684
Cl3	C1	Br5	110.684	Br4	C1	Br5	110.940

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)