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	hartrees
Energy at 0K	-72.967760
Energy at 298.15K	-72.971105
HF Energy	-72.967760
Nuclear repulsion energy	87.524245

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'	991	960	209.22	1.49	0.62	0.77
2	A'	737	713	312.49	5.03	0.75	0.86
3	A'	448	434	3.65	14.68	0.02	0.03
4	A'	314	304	0.01	9.09	0.67	0.81
5	A'	282	273	0.09	12.97	0.32	0.49
6	A'	202	195	0.06	8.67	0.68	0.81
7	A"	753	729	275.87	4.60	0.75	0.86
8	A"	357	346	0.04	8.40	0.75	0.86
9	A"	190	184	0.07	8.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	0.121	0.000
Br2	-1.458	0.354	0.000
F3	1.112	1.404	0.000
Cl4	1.112	-0.757	1.530
Cl5	1.112	-0.757	-1.530

	C1	Br2	F3	Cl4	Cl5
C1		2.0007	1.4090	1.8579	1.8579
Br2	2.0007		2.7763	3.1906	3.1906
F3	1.4090	2.7763		2.6480	2.6480
Cl4	1.8579	3.1906	2.6480		3.0596
Cl5	1.8579	3.1906	2.6480	3.0596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.759	Br2	C1	Cl4	111.507
Br2	C1	Cl5	111.507	F3	C1	Cl4	107.500
F3	C1	Cl5	107.500	Cl4	C1	Cl5	110.850

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B3LYP/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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	x	y	z	Total
	-0.910	-0.653	0.000	1.120
CHELPG
AIM
ESP

	x	y	z
x	7.806	-1.614	0.000
y	-1.614	4.187	0.000
z	0.000	0.000	7.196

<r²>	128.609
(<r²>)^1/2	11.341

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)