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	hartrees
Energy at 0K	-6077.301708
Energy at 298.15K	-6077.307424
HF Energy	-6077.301708
Nuclear repulsion energy	824.829113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	666	177.70
2	A₁	352	338	0.15
3	A₁	236	226	0.08
4	A₁	153	147	0.09
5	A₂	169	162	0.00
6	B₁	714	686	169.13
7	B₁	226	217	0.29
8	B₂	670	644	177.50
9	B₂	258	248	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.352
Cl2	0.000	1.499	1.464
Cl3	0.000	-1.499	1.464
Br4	1.627	0.000	-0.741
Br5	-1.627	0.000	-0.741

	C1	Cl2	Cl3	Br4	Br5
C1		1.8659	1.8659	1.9598	1.9598
Cl2	1.8659		2.9973	3.1228	3.1228
Cl3	1.8659	2.9973		3.1228	3.1228
Br4	1.9598	3.1228	3.1228		3.2535
Br5	1.9598	3.1228	3.1228	3.2535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.868	Cl2	C1	Br4	109.404
Cl2	C1	Br5	109.404	Cl3	C1	Br4	109.404
Cl3	C1	Br5	109.404	Br4	C1	Br5	112.211

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B3PW91/3-21G

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	-0.875
2	Cl	0.154
3	Cl	0.154
4	Br	0.283
5	Br	0.283

	x	y	z	Total
	0.000	0.000	-1.236	1.236
CHELPG
AIM
ESP

<r²>	415.337
(<r²>)^1/2	20.380

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)