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	hartrees
Energy at 0K	-5183.056619
Energy at 298.15K
HF Energy	-5183.056619
Nuclear repulsion energy	352.910543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	3020	2.02
2	A₁	1441	1390	0.05
3	A₁	593	572	3.90
4	A₁	174	168	0.10
5	A₂	1119	1080	0.00
6	B₁	3210	3098	0.64
7	B₁	825	796	3.26
8	B₂	1222	1179	57.40
9	B₂	652	629	88.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.896	0.000	1.545
H3	0.896	0.000	1.545
Br4	0.000	1.609	-0.124
Br5	0.000	-1.609	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0854	1.0854	1.9247	1.9247
H2	1.0854		1.7930	2.4852	2.4852
H3	1.0854	1.7930		2.4852	2.4852
Br4	1.9247	2.4852	2.4852		3.2174
Br5	1.9247	2.4852	2.4852	3.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.364	H2	C1	Br4	108.031
H2	C1	Br5	108.031	H3	C1	Br4	108.031
H3	C1	Br5	108.031	Br4	C1	Br5	113.401

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/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	-0.454
2	H	0.194
3	H	0.194
4	Br	0.033
5	Br	0.033

	x	y	z	Total
	0.000	0.000	1.449	1.449
CHELPG
AIM
ESP

<r²>	220.201
(<r²>)^1/2	14.839

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)