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	hartrees
Energy at 0K	-5745.505680
Energy at 298.15K
HF Energy	-5745.505680
Nuclear repulsion energy	731.907878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1120	1075	200.65	1.03	0.52	0.68
2	A'	806	774	275.43	3.07	0.62	0.76
3	A'	473	454	1.32	7.25	0.04	0.07
4	A'	349	335	0.21	3.76	0.55	0.71
5	A'	272	261	0.40	8.45	0.24	0.39
6	A'	162	156	0.07	3.71	0.64	0.78
7	A"	754	724	272.25	4.47	0.75	0.86
8	A"	313	301	0.38	3.42	0.75	0.86
9	A"	200	192	0.15	3.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	0.511	0.000
F2	-1.249	1.235	0.000
Cl3	1.247	1.612	0.000
Br4	-0.131	-0.594	1.600
Br5	-0.131	-0.594	-1.600

	C1	F2	Cl3	Br4	Br5
C1		1.3317	1.7640	1.9442	1.9442
F2	1.3317		2.5242	2.6746	2.6746
Cl3	1.7640	2.5242		3.0536	3.0536
Br4	1.9442	2.6746	3.0536		3.1997
Br5	1.9442	2.6746	3.0536	3.1997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.442	F2	C1	Br4	107.995
F2	C1	Br5	107.995	Cl3	C1	Br4	110.774
Cl3	C1	Br5	110.774	Br4	C1	Br5	110.746

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/6-311G**

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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Number	Element	Mulliken
1	C	-0.110
2	F	-0.138
3	Cl	0.060
4	Br	0.094
5	Br	0.094

	x	y	z	Total
	0.322	-0.411	0.000	0.522
CHELPG
AIM
ESP

	x	y	z
x	6.127	1.434	0.000
y	1.434	7.715	0.000
z	0.000	0.000	9.603

<r²>	341.868
(<r²>)^1/2	18.490

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)