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	hartrees
Energy at 0K	-177.771456
Energy at 298.15K
HF Energy	-177.771456
Nuclear repulsion energy	116.928668

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'	1117	1005	230.24	9.48	0.65	0.79
2	A'	817	735	214.04	23.00	0.75	0.86
3	A'	450	405	2.01	16.63	0.04	0.07
4	A'	344	309	0.93	7.54	0.58	0.73
5	A'	273	246	0.18	17.16	0.26	0.41
6	A'	169	152	0.04	7.47	0.66	0.80
7	A"	788	709	217.12	23.27	0.75	0.86
8	A"	313	282	1.78	6.62	0.75	0.86
9	A"	205	185	0.05	6.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.130	0.498	0.000
F2	-1.290	1.253	0.000
Cl3	1.266	1.665	0.000
Br4	-0.130	-0.608	1.644
Br5	-0.130	-0.608	-1.644

	C1	F2	Cl3	Br4	Br5
C1		1.3836	1.8200	1.9819	1.9819
F2	1.3836		2.5897	2.7406	2.7406
Cl3	1.8200	2.5897		3.1339	3.1339
Br4	1.9819	2.7406	3.1339		3.2886
Br5	1.9819	2.7406	3.1339	3.2886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.091	F2	C1	Br4	107.720
F2	C1	Br5	107.720	Cl3	C1	Br4	110.967
Cl3	C1	Br5	110.967	Br4	C1	Br5	112.134

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: HF/LANL2DZ

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	-0.088
2	F	-0.255
3	Cl	0.043
4	Br	0.150
5	Br	0.150

	x	y	z	Total
	0.547	-1.195	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	3.794	1.575	0.000
y	1.575	5.965	0.000
z	0.000	0.000	8.676

<r²>	138.364
(<r²>)^1/2	11.763

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)