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	hartrees
Energy at 0K	-3615.419551
Energy at 298.15K	-3615.422968
HF Energy	-3615.419551
Nuclear repulsion energy	518.187730

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'	1097	1056	129.17	1.21	0.75	0.86
2	A'	743	715	268.32	2.67	0.75	0.86
3	A'	464	446	4.73	11.68	0.02	0.04
4	A'	318	306	0.03	5.05	0.61	0.75
5	A'	291	280	0.08	6.71	0.28	0.43
6	A'	212	204	0.01	3.95	0.65	0.79
7	A"	720	693	269.67	3.64	0.75	0.86
8	A"	356	343	0.62	4.94	0.75	0.86
9	A"	201	193	0.04	3.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	0.154	0.000
Br2	-1.415	0.306	0.000
F3	1.079	1.413	0.000
Cl4	1.079	-0.716	1.476
Cl5	1.079	-0.716	-1.476

	C1	Br2	F3	Cl4	Cl5
C1		1.9460	1.3752	1.8005	1.8005
Br2	1.9460		2.7285	3.0728	3.0728
F3	1.3752	2.7285		2.5902	2.5902
Cl4	1.8005	3.0728	2.5902		2.9521
Cl5	1.8005	3.0728	2.5902	2.9521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	109.269	Br2	C1	Cl4	110.142
Br2	C1	Cl5	110.142	F3	C1	Cl4	108.560
F3	C1	Cl5	108.560	Cl4	C1	Cl5	110.128

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B3LYP/3-21G*

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	0.015
2	Br	0.067
3	F	-0.230
4	Cl	0.074
5	Cl	0.074

	x	y	z	Total
	-0.703	-0.233	0.000	0.741
CHELPG
AIM
ESP

	x	y	z
x	7.496	-1.099	0.000
y	-1.099	5.088	0.000
z	0.000	0.000	7.240

<r²>	267.758
(<r²>)^1/2	16.363

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)