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	hartrees
Energy at 0K	-3630.003518
Energy at 298.15K	-3630.006874
HF Energy	-3630.003518
Nuclear repulsion energy	514.107077

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'	996	991	204.62	1.86	0.69	0.82
2	A'	703	699	292.36	5.16	0.59	0.74
3	A'	460	457	2.41	13.35	0.02	0.03
4	A'	311	309	1.03	4.24	0.70	0.83
5	A'	279	278	0.65	7.87	0.20	0.33
6	A'	205	204	0.25	4.27	0.52	0.68
7	A"	732	728	270.00	3.80	0.75	0.86
8	A"	363	361	1.44	4.20	0.75	0.86
9	A"	196	195	0.11	3.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.543	0.143	0.000
Br2	-1.433	0.326	0.000
F3	1.090	1.392	0.000
Cl4	1.090	-0.729	1.483
Cl5	1.090	-0.729	-1.483

	C1	Br2	F3	Cl4	Cl5
C1		1.9847	1.3642	1.8053	1.8053
Br2	1.9847		2.7392	3.1111	3.1111
F3	1.3642	2.7392		2.5887	2.5887
Cl4	1.8053	3.1111	2.5887		2.9664
Cl5	1.8053	3.1111	2.5887	2.9664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.332	Br2	C1	Cl4	110.257
Br2	C1	Cl5	110.257	F3	C1	Cl4	108.726
F3	C1	Cl5	108.726	Cl4	C1	Cl5	110.485

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-31+G**

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	-0.174
2	Br	0.054
3	F	-0.109
4	Cl	0.115
5	Cl	0.115

	x	y	z	Total
	-0.321	-0.366	0.000	0.487
CHELPG
AIM
ESP

	x	y	z
x	10.098	-1.179	0.000
y	-1.179	7.496	0.000
z	0.000	0.000	9.467

<r²>	272.628
(<r²>)^1/2	16.511

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)