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	hartrees
Energy at 0K	-71.724510
Energy at 298.15K	-71.728212
HF Energy	-71.724510
Nuclear repulsion energy	89.312004

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'	1129	1030	216.69	6.96	0.66	0.80
2	A'	856	781	249.74	18.16	0.75	0.86
3	A'	496	453	2.81	21.03	0.02	0.04
4	A'	344	314	1.96	7.43	0.68	0.81
5	A'	314	286	1.05	13.26	0.29	0.45
6	A'	226	206	0.06	7.34	0.66	0.80
7	A"	882	805	237.23	17.69	0.75	0.86
8	A"	395	360	3.04	7.41	0.75	0.86
9	A"	212	193	0.01	6.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	0.111	0.000
Br2	-1.431	0.350	0.000
F3	1.093	1.370	0.000
Cl4	1.093	-0.742	1.499
Cl5	1.093	-0.742	-1.499

	C1	Br2	F3	Cl4	Cl5
C1		1.9623	1.3846	1.8181	1.8181
Br2	1.9623		2.7221	3.1316	3.1316
F3	1.3846	2.7221		2.5899	2.5899
Cl4	1.8181	3.1316	2.5899		2.9973
Cl5	1.8181	3.1316	2.5899	2.9973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.585	Br2	C1	Cl4	111.809
Br2	C1	Cl5	111.809	F3	C1	Cl4	107.158
F3	C1	Cl5	107.158	Cl4	C1	Cl5	111.036

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/CEP-121G

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	-0.364
2	Br	0.287
3	F	-0.200
4	Cl	0.139
5	Cl	0.139

	x	y	z	Total
	-1.122	-0.718	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	7.604	-1.465	0.000
y	-1.465	4.201	0.000
z	0.000	0.000	6.801

<r²>	125.280
(<r²>)^1/2	11.193

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)