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	hartrees
Energy at 0K	-33.500897
Energy at 298.15K
HF Energy	-33.500897
Nuclear repulsion energy	32.713189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3028	11.70
2	A₁	1427	1367	0.00
3	A₁	560	536	4.58
4	A₁	163	156	0.08
5	A₂	1107	1060	0.00
6	B₁	3272	3133	1.56
7	B₁	823	788	14.18
8	B₂	1244	1191	69.48
9	B₂	632	606	119.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.952
H2	-0.910	0.000	1.559
H3	0.910	0.000	1.559
Br4	0.000	1.666	-0.126
Br5	0.000	-1.666	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0938	1.0938	1.9844	1.9844
H2	1.0938		1.8198	2.5383	2.5383
H3	1.0938	1.8198		2.5383	2.5383
Br4	1.9844	2.5383	2.5383		3.3323
Br5	1.9844	2.5383	2.5383	3.3323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.580	H2	C1	Br4	107.546
H2	C1	Br5	107.546	H3	C1	Br4	107.546
H3	C1	Br5	107.546	Br4	C1	Br5	114.197

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B1B95/CEP-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	-0.676
2	H	0.260
3	H	0.260
4	Br	0.078
5	Br	0.078

	x	y	z	Total
	0.000	0.000	1.790	1.790
CHELPG
AIM
ESP

<r²>	71.962
(<r²>)^1/2	8.483

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)