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	hartrees
Energy at 0K	-5182.671108
Energy at 298.15K
HF Energy	-5182.671108
Nuclear repulsion energy	351.440921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3025	2.16
2	A₁	1444	1384	0.09
3	A₁	590	566	4.81
4	A₁	176	169	0.09
5	A₂	1126	1079	0.00
6	B₁	3253	3118	1.01
7	B₁	810	776	5.08
8	B₂	1223	1172	66.56
9	B₂	642	615	101.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.938
H2	-0.903	0.000	1.541
H3	0.903	0.000	1.541
Br4	0.000	1.616	-0.124
Br5	0.000	-1.616	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0857	1.0857	1.9338	1.9338
H2	1.0857		1.8056	2.4901	2.4901
H3	1.0857	1.8056		2.4901	2.4901
Br4	1.9338	2.4901	2.4901		3.2313
Br5	1.9338	2.4901	2.4901	3.2313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.504	H2	C1	Br4	107.776
H2	C1	Br5	107.776	H3	C1	Br4	107.776
H3	C1	Br5	107.776	Br4	C1	Br5	113.329

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/6-31G**

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	-0.291
2	H	0.218
3	H	0.218
4	Br	-0.072
5	Br	-0.072

	x	y	z	Total
	0.000	0.000	1.556	1.556
CHELPG
AIM
ESP

<r²>	221.761
(<r²>)^1/2	14.892

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)