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	hartrees
Energy at 0K	-5740.732270
Energy at 298.15K
HF Energy	-5740.732270
Nuclear repulsion energy	733.124609

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'	1079	1068	138.91	1.02	0.67	0.80
2	A'	740	732	227.26	2.29	0.69	0.81
3	A'	449	445	1.30	9.28	0.02	0.04
4	A'	333	330	0.43	2.63	0.49	0.66
5	A'	260	257	0.19	6.36	0.16	0.27
6	A'	158	157	0.04	2.29	0.62	0.77
7	A"	715	708	230.49	1.96	0.75	0.86
8	A"	304	301	0.38	2.12	0.75	0.86
9	A"	187	185	0.02	2.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.136	0.507	0.000
F2	-1.253	1.246	0.000
Cl3	1.273	1.605	0.000
Br4	-0.136	-0.594	1.588
Br5	-0.136	-0.594	-1.588

	C1	F2	Cl3	Br4	Br5
C1		1.3393	1.7869	1.9319	1.9319
F2	1.3393		2.5517	2.6745	2.6745
Cl3	1.7869	2.5517		3.0565	3.0565
Br4	1.9319	2.6745	3.0565		3.1757
Br5	1.9319	2.6745	3.0565	3.1757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.574	F2	C1	Br4	108.326
F2	C1	Br5	108.326	Cl3	C1	Br4	110.494
Cl3	C1	Br5	110.494	Br4	C1	Br5	110.551

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.116
2	F	-0.003
3	Cl	-0.053
4	Br	0.086
5	Br	0.086

	x	y	z	Total
	-0.028	-0.199	0.000	0.201
CHELPG
AIM
ESP

	x	y	z
x	8.126	1.298	0.000
y	1.298	9.436	0.000
z	0.000	0.000	11.150

<r²>	339.630
(<r²>)^1/2	18.429

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

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

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)