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	hartrees
Energy at 0K	-5187.780362
Energy at 298.15K
HF Energy	-5187.780362
Nuclear repulsion energy	348.629750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3030	1.83
2	A₁	1438	1390	0.03
3	A₁	573	554	3.82
4	A₁	168	162	0.07
5	A₂	1113	1076	0.00
6	B₁	3220	3112	1.38
7	B₁	817	789	4.42
8	B₂	1218	1177	67.74
9	B₂	621	600	106.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.898	0.000	1.535
H3	0.898	0.000	1.535
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0805	1.0805	1.9454	1.9454
H2	1.0805		1.7962	2.4946	2.4946
H3	1.0805	1.7962		2.4946	2.4946
Br4	1.9454	2.4946	2.4946		3.2655
Br5	1.9454	2.4946	2.4946	3.2655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.444	H2	C1	Br4	107.595
H2	C1	Br5	107.595	H3	C1	Br4	107.595
H3	C1	Br5	107.595	Br4	C1	Br5	114.125

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/cc-pVTZ

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	-0.177
2	H	0.148
3	H	0.148
4	Br	-0.059
5	Br	-0.059

	x	y	z	Total
	0.000	0.000	1.519	1.519
CHELPG
AIM
ESP

<r²>	226.116
(<r²>)^1/2	15.037

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)