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	hartrees
Energy at 0K	-5181.694970
Energy at 298.15K	-5181.702984
HF Energy	-5181.575936
Nuclear repulsion energy	349.770164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3030	2.36
2	A₁	1487	1411	0.58
3	A₁	584	554	5.20
4	A₁	176	168	0.08
5	A₂	1142	1084	0.00
6	B₁	3285	3119	0.63
7	B₁	824	782	4.54
8	B₂	1248	1185	77.52
9	B₂	639	606	94.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.944
H2	-0.897	0.000	1.556
H3	0.897	0.000	1.556
Br4	0.000	1.625	-0.125
Br5	0.000	-1.625	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0860	1.0860	1.9450	1.9450
H2	1.0860		1.7943	2.5041	2.5041
H3	1.0860	1.7943		2.5041	2.5041
Br4	1.9450	2.5041	2.5041		3.2498
Br5	1.9450	2.5041	2.5041	3.2498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.402	H2	C1	Br4	108.041
H2	C1	Br5	108.041	H3	C1	Br4	108.041
H3	C1	Br5	108.041	Br4	C1	Br5	113.323

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP/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	-0.319
2	H	0.238
3	H	0.238
4	Br	-0.078
5	Br	-0.078

	x	y	z	Total
	0.000	0.000	1.587	1.587
CHELPG
AIM
ESP

<r²>	223.816
(<r²>)^1/2	14.960

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)