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	hartrees
Energy at 0K	-5190.248134
Energy at 298.15K
HF Energy	-5190.248134
Nuclear repulsion energy	347.311709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3081	3039	2.76	97.99	0.05	0.10
2	A₁	1401	1382	0.13	11.86	0.63	0.77
3	A₁	553	545	3.96	14.69	0.09	0.16
4	A₁	164	162	0.07	5.32	0.40	0.57
5	A₂	1087	1072	0.00	1.91	0.75	0.86
6	B₁	3172	3129	0.61	48.55	0.75	0.86
7	B₁	798	787	4.21	1.13	0.75	0.86
8	B₂	1186	1170	63.79	0.03	0.75	0.86
9	B₂	581	573	121.90	4.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.904	0.000	1.535
H3	0.904	0.000	1.535
Br4	0.000	1.640	-0.124
Br5	0.000	-1.640	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0856	1.0856	1.9518	1.9518
H2	1.0856		1.8085	2.5019	2.5019
H3	1.0856	1.8085		2.5019	2.5019
Br4	1.9518	2.5019	2.5019		3.2792
Br5	1.9518	2.5019	2.5019	3.2792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.813	H2	C1	Br4	107.467
H2	C1	Br5	107.467	H3	C1	Br4	107.467
H3	C1	Br5	107.467	Br4	C1	Br5	114.293

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B97D3/Def2TZVPP

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	-0.164
2	H	0.154
3	H	0.154
4	Br	-0.072
5	Br	-0.072

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

<r²>	227.485
(<r²>)^1/2	15.083

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)