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	hartrees
Energy at 0K	-5181.849131
Energy at 298.15K
HF Energy	-5181.849131
Nuclear repulsion energy	348.920089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	3037	2.14
2	A₁	1397	1378	0.15
3	A₁	569	562	4.20
4	A₁	170	167	0.07
5	A₂	1081	1066	0.00
6	B₁	3174	3131	0.64
7	B₁	784	774	5.09
8	B₂	1174	1158	62.85
9	B₂	601	593	113.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
H2	-0.911	0.000	1.549
H3	0.911	0.000	1.549
Br4	0.000	1.628	-0.125
Br5	0.000	-1.628	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0938	1.0938	1.9470	1.9470
H2	1.0938		1.8214	2.5062	2.5062
H3	1.0938	1.8214		2.5062	2.5062
Br4	1.9470	2.5062	2.5062		3.2557
Br5	1.9470	2.5062	2.5062	3.2557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.733	H2	C1	Br4	107.688
H2	C1	Br5	107.688	H3	C1	Br4	107.688
H3	C1	Br5	107.688	Br4	C1	Br5	113.463

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/6-31G**

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	-0.283
2	H	0.207
3	H	0.207
4	Br	-0.065
5	Br	-0.065

	x	y	z	Total
	0.000	0.000	1.493	1.493
CHELPG
AIM
ESP

<r²>	224.694
(<r²>)^1/2	14.990

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)