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	hartrees
Energy at 0K	-5186.726345
Energy at 298.15K
HF Energy	-5186.726345
Nuclear repulsion energy	347.089731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3036	4.08
2	A₁	1401	1386	0.00
3	A₁	564	558	3.27
4	A₁	164	163	0.05
5	A₂	1096	1085	0.00
6	B₁	3155	3122	0.10
7	B₁	798	790	8.79
8	B₂	1195	1183	70.49
9	B₂	598	592	127.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.906	0.000	1.540
H3	0.906	0.000	1.540
Br4	0.000	1.641	-0.124
Br5	0.000	-1.641	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0919	1.0919	1.9506	1.9506
H2	1.0919		1.8113	2.5067	2.5067
H3	1.0919	1.8113		2.5067	2.5067
Br4	1.9506	2.5067	2.5067		3.2825
Br5	1.9506	2.5067	2.5067	3.2825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.073	H2	C1	Br4	107.573
H2	C1	Br5	107.573	H3	C1	Br4	107.573
H3	C1	Br5	107.573	Br4	C1	Br5	114.573

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/6-311G*

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	-0.649
2	H	0.303
3	H	0.303
4	Br	0.021
5	Br	0.021

	x	y	z	Total
	0.000	0.000	1.537	1.537
CHELPG
AIM
ESP

<r²>	227.991
(<r²>)^1/2	15.099

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)