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	hartrees
Energy at 0K	-3592.484849
Energy at 298.15K	-3592.488209
HF Energy	-3592.484849
Nuclear repulsion energy	511.423551

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'	1332	1332	138.14	1.13	0.30	0.46
2	A'	896	896	221.58	4.71	0.35	0.52
3	A'	521	521	10.11	9.62	0.01	0.02
4	A'	347	347	1.10	3.13	0.75	0.86
5	A'	294	294	2.82	5.37	0.36	0.53
6	A'	204	204	1.66	3.61	0.72	0.84
7	A"	878	878	217.21	6.86	0.75	0.86
8	A"	382	382	0.36	3.95	0.75	0.86
9	A"	194	194	0.30	3.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.504	0.188	0.000
Br2	-1.428	0.327	0.000
F3	1.092	1.411	0.000
Cl4	1.092	-0.744	1.501
Cl5	1.092	-0.744	-1.501

	C1	Br2	F3	Cl4	Cl5
C1		1.9373	1.3571	1.8619	1.8619
Br2	1.9373		2.7430	3.1228	3.1228
F3	1.3571	2.7430		2.6258	2.6258
Cl4	1.8619	3.1228	2.6258		3.0027
Cl5	1.8619	3.1228	2.6258	3.0027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	111.525	Br2	C1	Cl4	110.549
Br2	C1	Cl5	110.549	F3	C1	Cl4	108.300
F3	C1	Cl5	108.300	Cl4	C1	Cl5	107.487

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: M06-2X/STO-3G

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	0.144
2	Br	0.098
3	F	-0.021
4	Cl	-0.110
5	Cl	-0.110

	x	y	z	Total
	-0.850	1.432	0.000	1.665
CHELPG
AIM
ESP

	x	y	z
x	4.139	-0.921	0.000
y	-0.921	2.146	0.000
z	0.000	0.000	3.816

<r²>	272.961
(<r²>)^1/2	16.522

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)