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	hartrees
Energy at 0K	-5190.348853
Energy at 298.15K
HF Energy	-5190.348853
Nuclear repulsion energy	347.455628

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	3078	3078	1.95	97.05	0.04	0.08
2	A₁	1401	1401	0.07	10.93	0.49	0.66
3	A₁	553	553	3.58	19.03	0.06	0.12
4	A₁	165	165	0.06	4.49	0.31	0.48
5	A₂	1088	1088	0.00	0.75	0.75	0.86
6	B₁	3168	3168	1.35	45.36	0.75	0.86
7	B₁	800	800	3.54	0.34	0.75	0.86
8	B₂	1187	1187	62.79	0.17	0.75	0.86
9	B₂	583	583	121.96	3.13	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	1.639	-0.124
Br5	0.000	-1.639	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0849	1.0849	1.9512	1.9512
H2	1.0849		1.8075	2.5010	2.5010
H3	1.0849	1.8075		2.5010	2.5010
Br4	1.9512	2.5010	2.5010		3.2776
Br5	1.9512	2.5010	2.5010	3.2776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.831	H2	C1	Br4	107.470
H2	C1	Br5	107.470	H3	C1	Br4	107.470
H3	C1	Br5	107.470	Br4	C1	Br5	114.262

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B97D3/aug-cc-pVQZ

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	-0.592
2	H	0.297
3	H	0.297
4	Br	-0.001
5	Br	-0.001

	x	y	z	Total
	0.000	0.000	1.460	1.460
CHELPG
AIM
ESP

<r²>	227.407
(<r²>)^1/2	15.080

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)