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	hartrees
Energy at 0K	-5740.901019
Energy at 298.15K
HF Energy	-5740.901019
Nuclear repulsion energy	740.797936

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'	1139	1091	140.99	1.73	0.47	0.64
2	A'	807	772	215.28	3.33	0.67	0.80
3	A'	474	454	0.95	8.97	0.02	0.04
4	A'	351	336	0.03	2.43	0.45	0.62
5	A'	274	263	0.13	5.46	0.15	0.27
6	A'	167	160	0.03	1.93	0.62	0.76
7	A"	775	743	215.68	3.33	0.75	0.86
8	A"	321	308	0.01	1.90	0.75	0.86
9	A"	197	189	0.00	1.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.501	0.000
F2	-1.242	1.231	0.000
Cl3	1.256	1.590	0.000
Br4	-0.134	-0.587	1.572
Br5	-0.134	-0.587	-1.572

	C1	F2	Cl3	Br4	Br5
C1		1.3274	1.7660	1.9118	1.9118
F2	1.3274		2.5239	2.6471	2.6471
Cl3	1.7660	2.5239		3.0239	3.0239
Br4	1.9118	2.6471	3.0239		3.1440
Br5	1.9118	2.6471	3.0239	3.1440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.524	F2	C1	Br4	108.254
F2	C1	Br5	108.254	Cl3	C1	Br4	110.549
Cl3	C1	Br5	110.549	Br4	C1	Br5	110.624

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/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	-0.093
2	F	-0.050
3	Cl	-0.043
4	Br	0.093
5	Br	0.093

	x	y	z	Total
	0.065	-0.260	0.000	0.268
CHELPG
AIM
ESP

	x	y	z
x	7.896	1.209	0.000
y	1.209	9.116	0.000
z	0.000	0.000	10.714

<r²>	333.418
(<r²>)^1/2	18.260

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)