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	hartrees
Energy at 0K	-71.720656
Energy at 298.15K	-71.724334
HF Energy	-71.720656
Nuclear repulsion energy	89.251660

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'	1131	1019	219.84	7.91	0.70	0.83
2	A'	869	783	260.58	20.62	0.75	0.86
3	A'	496	447	2.94	21.00	0.02	0.03
4	A'	346	312	1.85	8.15	0.68	0.81
5	A'	314	283	1.07	14.18	0.30	0.47
6	A'	226	204	0.05	8.26	0.67	0.80
7	A"	888	801	240.72	20.03	0.75	0.86
8	A"	396	357	2.78	8.21	0.75	0.86
9	A"	212	191	0.02	7.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	0.111	0.000
Br2	-1.431	0.351	0.000
F3	1.093	1.370	0.000
Cl4	1.093	-0.744	1.500
Cl5	1.093	-0.744	-1.500

	C1	Br2	F3	Cl4	Cl5
C1		1.9612	1.3851	1.8207	1.8207
Br2	1.9612		2.7221	3.1337	3.1337
F3	1.3851	2.7221		2.5923	2.5923
Cl4	1.8207	3.1337	2.5923		2.9998
Cl5	1.8207	3.1337	2.5923	2.9998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.623	Br2	C1	Cl4	111.855
Br2	C1	Cl5	111.855	F3	C1	Cl4	107.141
F3	C1	Cl5	107.141	Cl4	C1	Cl5	110.938

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/CEP-31G

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	-0.283
2	Br	0.254
3	F	-0.190
4	Cl	0.110
5	Cl	0.110

	x	y	z	Total
	-1.167	-0.764	0.000	1.395
CHELPG
AIM
ESP

	x	y	z
x	7.156	-1.561	0.000
y	-1.561	3.730	0.000
z	0.000	0.000	6.597

<r²>	125.461
(<r²>)^1/2	11.201

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)