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	hartrees
Energy at 0K	-5187.781651
Energy at 298.15K
HF Energy	-5187.781651
Nuclear repulsion energy	348.625707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3035	1.02
2	A₁	1435	1388	0.01
3	A₁	572	554	3.60
4	A₁	167	162	0.07
5	A₂	1112	1076	0.00
6	B₁	3222	3118	2.78
7	B₁	816	789	3.56
8	B₂	1215	1175	64.90
9	B₂	619	599	105.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.898	0.000	1.534
H3	0.898	0.000	1.534
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0801	1.0801	1.9457	1.9457
H2	1.0801		1.7963	2.4945	2.4945
H3	1.0801	1.7963		2.4945	2.4945
Br4	1.9457	2.4945	2.4945		3.2653
Br5	1.9457	2.4945	2.4945	3.2653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.516	H2	C1	Br4	107.588
H2	C1	Br5	107.588	H3	C1	Br4	107.588
H3	C1	Br5	107.588	Br4	C1	Br5	114.087

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/aug-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	-0.498
2	H	0.219
3	H	0.219
4	Br	0.029
5	Br	0.029

	x	y	z	Total
	0.000	0.000	1.479	1.479
CHELPG
AIM
ESP

<r²>	226.210
(<r²>)^1/2	15.040

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)