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	hartrees
Energy at 0K	-5187.739029
Energy at 298.15K
HF Energy	-5187.739029
Nuclear repulsion energy	352.339996

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	3152	3011	1.54	94.08	0.05	0.10
2	A₁	1451	1386	0.02	11.61	0.62	0.77
3	A₁	603	576	3.83	14.65	0.09	0.16
4	A₁	175	167	0.10	3.85	0.41	0.59
5	A₂	1135	1084	0.00	2.22	0.75	0.86
6	B₁	3238	3093	2.01	46.51	0.75	0.86
7	B₁	824	787	4.29	0.93	0.75	0.86
8	B₂	1237	1182	62.58	0.01	0.75	0.86
9	B₂	684	654	83.44	6.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.896	0.000	1.535
H3	0.896	0.000	1.535
Br4	0.000	1.613	-0.123
Br5	0.000	-1.613	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0818	1.0818	1.9258	1.9258
H2	1.0818		1.7911	2.4811	2.4811
H3	1.0818	1.7911		2.4811	2.4811
Br4	1.9258	2.4811	2.4811		3.2265
Br5	1.9258	2.4811	2.4811	3.2265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.745	H2	C1	Br4	107.843
H2	C1	Br5	107.843	H3	C1	Br4	107.843
H3	C1	Br5	107.843	Br4	C1	Br5	113.794

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/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	-0.203
2	H	0.165
3	H	0.165
4	Br	-0.063
5	Br	-0.063

	x	y	z	Total
	0.000	0.000	1.529	1.529
CHELPG
AIM
ESP

<r²>	221.430
(<r²>)^1/2	14.881

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)