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	hartrees
Energy at 0K	-5718.410779
Energy at 298.15K
HF Energy	-5718.410779
Nuclear repulsion energy	733.078702

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'	1119	1074	116.36	1.42	0.73	0.85
2	A'	756	726	242.37	3.45	0.75	0.86
3	A'	452	434	2.15	9.23	0.03	0.06
4	A'	328	315	0.03	3.37	0.65	0.79
5	A'	267	257	0.04	6.71	0.25	0.40
6	A'	163	156	0.03	2.92	0.66	0.79
7	A"	768	738	231.15	2.77	0.75	0.86
8	A"	296	285	0.32	3.00	0.75	0.86
9	A"	197	189	0.01	3.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.139	0.516	0.000
F2	-1.266	1.300	0.000
Cl3	1.290	1.580	0.000
Br4	-0.139	-0.595	1.578
Br5	-0.139	-0.595	-1.578

	C1	F2	Cl3	Br4	Br5
C1		1.3731	1.7806	1.9300	1.9300
F2	1.3731		2.5710	2.7115	2.7115
Cl3	1.7806	2.5710		3.0428	3.0428
Br4	1.9300	2.7115	3.0428		3.1560
Br5	1.9300	2.7115	3.0428	3.1560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.528	F2	C1	Br4	109.188
F2	C1	Br5	109.188	Cl3	C1	Br4	110.109
Cl3	C1	Br5	110.109	Br4	C1	Br5	109.691

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/3-21G*

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	0.028
2	F	-0.239
3	Cl	0.087
4	Br	0.062
5	Br	0.062

	x	y	z	Total
	0.267	-0.767	0.000	0.812
CHELPG
AIM
ESP

	x	y	z
x	5.981	1.248	0.000
y	1.248	7.196	0.000
z	0.000	0.000	8.746

<r²>	338.668
(<r²>)^1/2	18.403

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)