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	hartrees
Energy at 0K	-5182.001384
Energy at 298.15K	-5182.009422
HF Energy	-5182.001384
Nuclear repulsion energy	352.734939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3023	2.02
2	A₁	1468	1395	0.06
3	A₁	601	571	4.72
4	A₁	179	170	0.09
5	A₂	1140	1084	0.00
6	B₁	3274	3111	1.08
7	B₁	819	778	5.33
8	B₂	1241	1179	68.96
9	B₂	663	630	96.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
H2	-0.901	0.000	1.542
H3	0.901	0.000	1.542
Br4	0.000	1.609	-0.124
Br5	0.000	-1.609	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0860	1.0860	1.9268	1.9268
H2	1.0860		1.8019	2.4854	2.4854
H3	1.0860	1.8019		2.4854	2.4854
Br4	1.9268	2.4854	2.4854		3.2181
Br5	1.9268	2.4854	2.4854	3.2181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.124	H2	C1	Br4	107.887
H2	C1	Br5	107.887	H3	C1	Br4	107.887
H3	C1	Br5	107.887	Br4	C1	Br5	113.247

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBE1PBE/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	-0.390
2	H	0.260
3	H	0.260
4	Br	-0.065
5	Br	-0.065

	x	y	z	Total
	0.000	0.000	1.554	1.554
CHELPG
AIM
ESP

<r²>	220.281
(<r²>)^1/2	14.842

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)