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	hartrees
Energy at 0K	-6101.199118
Energy at 298.15K	-6101.205051
HF Energy	-6101.199118
Nuclear repulsion energy	857.360428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	763	731	128.27
2	A₁	397	380	0.01
3	A₁	251	241	0.02
4	A₁	161	154	0.02
5	A₂	178	170	0.00
6	B₁	737	705	119.62
7	B₁	240	229	0.00
8	B₂	777	744	130.31
9	B₂	272	260	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
Cl2	0.000	1.441	1.408
Cl3	0.000	-1.441	1.408
Br4	1.561	0.000	-0.717
Br5	-1.561	0.000	-0.717

	C1	Cl2	Cl3	Br4	Br5
C1		1.7668	1.7668	1.9107	1.9107
Cl2	1.7668		2.8817	3.0043	3.0043
Cl3	1.7668	2.8817		3.0043	3.0043
Br4	1.9107	3.0043	3.0043		3.1217
Br5	1.9107	3.0043	3.0043	3.1217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.281	Cl2	C1	Br4	109.499
Cl2	C1	Br5	109.499	Cl3	C1	Br4	109.499
Cl3	C1	Br5	109.499	Br4	C1	Br5	109.549

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.284
2	Cl	-0.001
3	Cl	-0.001
4	Br	0.143
5	Br	0.143

	x	y	z	Total
	0.000	0.000	-0.264	0.264
CHELPG
AIM
ESP

<r²>	385.981
(<r²>)^1/2	19.646

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)