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	hartrees
Energy at 0K	-6106.592880
Energy at 298.15K	-6106.598617
HF Energy	-6106.592880
Nuclear repulsion energy	840.937797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	690	664	185.94
2	A₁	374	361	0.14
3	A₁	239	230	0.74
4	A₁	150	144	0.02
5	A₂	173	167	0.00
6	B₁	644	620	172.32
7	B₁	226	218	0.95
8	B₂	724	697	189.76
9	B₂	260	251	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.407
Cl2	0.000	1.456	1.431
Cl3	0.000	-1.456	1.431
Br4	1.600	0.000	-0.730
Br5	-1.600	0.000	-0.730

	C1	Cl2	Cl3	Br4	Br5
C1		1.7799	1.7799	1.9627	1.9627
Cl2	1.7799		2.9124	3.0575	3.0575
Cl3	1.7799	2.9124		3.0575	3.0575
Br4	1.9627	3.0575	3.0575		3.1992
Br5	1.9627	3.0575	3.0575	3.1992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.795	Cl2	C1	Br4	109.464
Cl2	C1	Br5	109.464	Cl3	C1	Br4	109.464
Cl3	C1	Br5	109.464	Br4	C1	Br5	109.175

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: TPSSh/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	-0.461
2	Cl	0.099
3	Cl	0.099
4	Br	0.131
5	Br	0.131

	x	y	z	Total
	0.000	0.000	-0.215	0.215
CHELPG
AIM
ESP

<r²>	400.550
(<r²>)^1/2	20.014

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)