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	hartrees
Energy at 0K	-5745.592398
Energy at 298.15K
HF Energy	-5745.247472
Nuclear repulsion energy	730.706175

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'	1092	1048	168.00	2.26	0.45	0.62
2	A'	795	763	220.02	4.33	0.60	0.75
3	A'	465	446	0.86	8.85	0.02	0.04
4	A'	344	330	0.11	3.25	0.47	0.64
5	A'	268	257	0.30	7.06	0.19	0.32
6	A'	160	154	0.06	2.66	0.63	0.77
7	A"	748	718	230.55	5.95	0.75	0.86
8	A"	310	298	0.16	2.78	0.75	0.86
9	A"	195	187	0.06	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.133	0.513	0.000
F2	-1.253	1.247	0.000
Cl3	1.258	1.606	0.000
Br4	-0.133	-0.594	1.601
Br5	-0.133	-0.594	-1.601

	C1	F2	Cl3	Br4	Br5
C1		1.3387	1.7692	1.9464	1.9464
F2	1.3387		2.5363	2.6844	2.6844
Cl3	1.7692	2.5363		3.0560	3.0560
Br4	1.9464	2.6844	3.0560		3.2013
Br5	1.9464	2.6844	3.0560	3.2013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.591	F2	C1	Br4	108.178
F2	C1	Br5	108.178	Cl3	C1	Br4	110.578
Cl3	C1	Br5	110.578	Br4	C1	Br5	110.650

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP/cc-pVTZ

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	0.162
2	F	-0.123
3	Cl	-0.040
4	Br	0.001
5	Br	0.001

	x	y	z	Total
	0.301	-0.279	0.000	0.410
CHELPG
AIM
ESP

	x	y	z
x	7.344	1.252	-0.000
y	1.252	8.827	-0.003
z	-0.000	-0.003	10.729

<r²>	342.623
(<r²>)^1/2	18.510

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)