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	hartrees
Energy at 0K	-3633.809032
Energy at 298.15K	-3633.812482
HF Energy	-3633.809032
Nuclear repulsion energy	517.115008

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'	1057	1042	221.80	0.45	0.72	0.83
2	A'	707	697	330.06	3.48	0.64	0.78
3	A'	475	468	3.13	9.38	0.02	0.04
4	A'	324	320	1.72	5.89	0.63	0.77
5	A'	286	282	2.15	8.35	0.25	0.40
6	A'	211	208	0.70	5.80	0.58	0.73
7	A"	743	732	321.06	1.55	0.75	0.86
8	A"	378	373	3.39	5.00	0.75	0.86
9	A"	198	195	0.09	4.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.546	0.132	0.000
Br2	-1.429	0.336	0.000
F3	1.087	1.359	0.000
Cl4	1.087	-0.729	1.474
Cl5	1.087	-0.729	-1.474

	C1	Br2	F3	Cl4	Cl5
C1		1.9850	1.3414	1.7902	1.7902
Br2	1.9850		2.7154	3.1036	3.1036
F3	1.3414	2.7154		2.5559	2.5559
Cl4	1.7902	3.1036	2.5559		2.9474
Cl5	1.7902	3.1036	2.5559	2.9474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.863	Br2	C1	Cl4	110.486
Br2	C1	Cl5	110.486	F3	C1	Cl4	108.552
F3	C1	Cl5	108.552	Cl4	C1	Cl5	110.810

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B97D3/6-311G**

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	-0.046
2	Br	0.073
3	F	-0.125
4	Cl	0.049
5	Cl	0.049

	x	y	z	Total
	-0.222	-0.256	0.000	0.339
CHELPG
AIM
ESP

	x	y	z
x	8.448	-1.406	0.000
y	-1.406	5.426	0.000
z	0.000	0.000	7.962

<r²>	269.895
(<r²>)^1/2	16.428

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)