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	hartrees
Energy at 0K	-6106.793713
Energy at 298.15K	-6106.799450
HF Energy	-6106.793713
Nuclear repulsion energy	844.122555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	698	676	154.51
2	A₁	374	362	0.31
3	A₁	235	227	0.33
4	A₁	147	143	0.02
5	A₂	168	163	0.00
6	B₁	650	629	151.79
7	B₁	224	217	0.43
8	B₂	733	710	149.61
9	B₂	255	247	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.406
Cl2	0.000	1.450	1.425
Cl3	0.000	-1.450	1.425
Br4	1.594	0.000	-0.727
Br5	-1.594	0.000	-0.727

	C1	Cl2	Cl3	Br4	Br5
C1		1.7728	1.7728	1.9555	1.9555
Cl2	1.7728		2.9005	3.0458	3.0458
Cl3	1.7728	2.9005		3.0458	3.0458
Br4	1.9555	3.0458	3.0458		3.1879
Br5	1.9555	3.0458	3.0458	3.1879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.784	Cl2	C1	Br4	109.461
Cl2	C1	Br5	109.461	Cl3	C1	Br4	109.461
Cl3	C1	Br5	109.461	Br4	C1	Br5	109.196

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: TPSSh/cc-pVTZ

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	-0.066
2	Cl	-0.010
3	Cl	-0.010
4	Br	0.043
5	Br	0.043

	x	y	z	Total
	0.000	0.000	-0.052	0.052
CHELPG
AIM
ESP

<r²>	397.391
(<r²>)^1/2	19.935

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)