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	hartrees
Energy at 0K	-3631.277945
Energy at 298.15K	-3631.281384
HF Energy	-3631.277945
Nuclear repulsion energy	517.642306

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'	1099	1099	196.04	0.79	0.71	0.83
2	A'	713	713	311.07	2.28	0.64	0.78
3	A'	475	475	3.52	9.94	0.02	0.04
4	A'	323	323	1.07	4.85	0.60	0.75
5	A'	286	286	1.53	7.44	0.23	0.37
6	A'	211	211	0.26	4.55	0.58	0.73
7	A"	752	752	296.28	1.54	0.75	0.86
8	A"	374	374	2.17	4.20	0.75	0.86
9	A"	199	199	0.03	3.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.137	0.000
Br2	-1.424	0.328	0.000
F3	1.083	1.369	0.000
Cl4	1.083	-0.724	1.477
Cl5	1.083	-0.724	-1.477

	C1	Br2	F3	Cl4	Cl5
C1		1.9808	1.3423	1.7914	1.7914
Br2	1.9808		2.7138	3.0935	3.0935
F3	1.3423	2.7138		2.5615	2.5615
Cl4	1.7914	3.0935	2.5615		2.9531
Cl5	1.7914	3.0935	2.5615	2.9531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.952	Br2	C1	Cl4	110.086
Br2	C1	Cl5	110.086	F3	C1	Cl4	108.808
F3	C1	Cl5	108.808	Cl4	C1	Cl5	111.026

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B97D3/6-31G**

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	0.063
2	Br	-0.014
3	F	-0.178
4	Cl	0.064
5	Cl	0.064

	x	y	z	Total
	-0.116	-0.070	0.000	0.135
CHELPG
AIM
ESP

	x	y	z
x	8.300	-1.217	0.000
y	-1.217	5.701	0.000
z	0.000	0.000	7.905

<r²>	268.489
(<r²>)^1/2	16.386

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)