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	hartrees
Energy at 0K	-6107.216136
Energy at 298.15K	-6107.221996
HF Energy	-6107.216136
Nuclear repulsion energy	846.326574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	703	161.11
2	A₁	387	369	0.20
3	A₁	245	233	0.18
4	A₁	154	147	0.03
5	A₂	175	167	0.00
6	B₁	689	657	157.82
7	B₁	233	222	0.19
8	B₂	769	733	156.45
9	B₂	267	255	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.403
Cl2	0.000	1.450	1.423
Cl3	0.000	-1.450	1.423
Br4	1.588	0.000	-0.726
Br5	-1.588	0.000	-0.726

	C1	Cl2	Cl3	Br4	Br5
C1		1.7725	1.7725	1.9477	1.9477
Cl2	1.7725		2.8993	3.0392	3.0392
Cl3	1.7725	2.8993		3.0392	3.0392
Br4	1.9477	3.0392	3.0392		3.1752
Br5	1.9477	3.0392	3.0392	3.1752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.741	Cl2	C1	Br4	109.471
Cl2	C1	Br5	109.471	Cl3	C1	Br4	109.471
Cl3	C1	Br5	109.471	Br4	C1	Br5	109.199

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: mPW1PW91/TZVP

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	-0.098
2	Cl	0.027
3	Cl	0.027
4	Br	0.022
5	Br	0.022

	x	y	z	Total
	0.000	0.000	-0.179	0.179
CHELPG
AIM
ESP

<r²>	395.592
(<r²>)^1/2	19.889

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)