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	hartrees
Energy at 0K	-5182.435911
Energy at 298.15K
HF Energy	-5182.435911
Nuclear repulsion energy	342.867730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3062	2.94
2	A₁	1468	1412	0.00
3	A₁	538	517	6.16
4	A₁	163	156	0.10
5	A₂	1120	1077	0.00
6	B₁	3287	3162	0.01
7	B₁	817	786	8.50
8	B₂	1237	1190	62.06
9	B₂	576	554	117.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.973
H2	-0.906	0.000	1.568
H3	0.906	0.000	1.568
Br4	0.000	1.656	-0.128
Br5	0.000	-1.656	-0.128

	C1	H2	H3	Br4	Br5
C1		1.0836	1.0836	1.9886	1.9886
H2	1.0836		1.8113	2.5375	2.5375
H3	1.0836	1.8113		2.5375	2.5375
Br4	1.9886	2.5375	2.5375		3.3115
Br5	1.9886	2.5375	2.5375	3.3115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.392	H2	C1	Br4	107.703
H2	C1	Br5	107.703	H3	C1	Br4	107.703
H3	C1	Br5	107.703	Br4	C1	Br5	112.742

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/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	-0.668
2	H	0.258
3	H	0.258
4	Br	0.076
5	Br	0.076

	x	y	z	Total
	0.000	0.000	1.813	1.813
CHELPG
AIM
ESP

<r²>	232.109
(<r²>)^1/2	15.235

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)