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	hartrees
Energy at 0K	-6105.558582
Energy at 298.15K	-6105.564266
HF Energy	-6105.558582
Nuclear repulsion energy	837.012319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	671	664	196.19
2	A₁	371	367	0.06
3	A₁	236	233	1.15
4	A₁	148	147	0.04
5	A₂	171	169	0.00
6	B₁	623	616	183.56
7	B₁	223	221	1.53
8	B₂	701	694	200.46
9	B₂	258	256	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.412
Cl2	0.000	1.461	1.437
Cl3	0.000	-1.461	1.437
Br4	1.608	0.000	-0.733
Br5	-1.608	0.000	-0.733

	C1	Cl2	Cl3	Br4	Br5
C1		1.7850	1.7850	1.9743	1.9743
Cl2	1.7850		2.9226	3.0713	3.0713
Cl3	1.7850	2.9226		3.0713	3.0713
Br4	1.9743	3.0713	3.0713		3.2161
Br5	1.9743	3.0713	3.0713	3.2161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.899	Cl2	C1	Br4	109.463
Cl2	C1	Br5	109.463	Cl3	C1	Br4	109.463
Cl3	C1	Br5	109.463	Br4	C1	Br5	109.072

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: PBEPBEultrafine/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	-0.501
2	Cl	0.113
3	Cl	0.113
4	Br	0.137
5	Br	0.137

	x	y	z	Total
	0.000	0.000	-0.191	0.191
CHELPG
AIM
ESP

<r²>	404.040
(<r²>)^1/2	20.101

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)