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	hartrees
Energy at 0K	-5187.614007
Energy at 298.15K
HF Energy	-5187.614007
Nuclear repulsion energy	347.293053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3034	2.57
2	A₁	1405	1363	0.14
3	A₁	571	554	4.52
4	A₁	168	163	0.06
5	A₂	1096	1063	0.00
6	B₁	3223	3127	0.96
7	B₁	803	779	5.11
8	B₂	1198	1162	69.99
9	B₂	618	599	111.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.909	0.000	1.543
H3	0.909	0.000	1.543
Br4	0.000	1.639	-0.124
Br5	0.000	-1.639	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0935	1.0935	1.9513	1.9513
H2	1.0935		1.8171	2.5084	2.5084
H3	1.0935	1.8171		2.5084	2.5084
Br4	1.9513	2.5084	2.5084		3.2779
Br5	1.9513	2.5084	2.5084	3.2779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.366	H2	C1	Br4	107.579
H2	C1	Br5	107.579	H3	C1	Br4	107.579
H3	C1	Br5	107.579	Br4	C1	Br5	114.268

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/cc-pVDZ

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	-0.147
2	H	0.118
3	H	0.118
4	Br	-0.045
5	Br	-0.045

	x	y	z	Total
	0.000	0.000	1.479	1.479
CHELPG
AIM
ESP

<r²>	227.207
(<r²>)^1/2	15.073

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)