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	hartrees
Energy at 0K	-5187.829925
Energy at 298.15K
HF Energy	-5187.829925
Nuclear repulsion energy	352.201275

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	3151	3014	1.17	91.74	0.05	0.09
2	A₁	1449	1387	0.06	9.99	0.50	0.67
3	A₁	601	575	3.49	18.72	0.06	0.12
4	A₁	174	167	0.09	3.30	0.32	0.48
5	A₂	1134	1085	0.00	0.96	0.75	0.86
6	B₁	3235	3094	2.70	42.19	0.75	0.86
7	B₁	826	790	3.67	0.28	0.75	0.86
8	B₂	1235	1182	61.94	0.38	0.75	0.86
9	B₂	682	653	84.24	4.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.895	0.000	1.536
H3	0.895	0.000	1.536
Br4	0.000	1.614	-0.124
Br5	0.000	-1.614	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0813	1.0813	1.9271	1.9271
H2	1.0813		1.7909	2.4819	2.4819
H3	1.0813	1.7909		2.4819	2.4819
Br4	1.9271	2.4819	2.4819		3.2275
Br5	1.9271	2.4819	2.4819	3.2275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.812	H2	C1	Br4	107.841
H2	C1	Br5	107.841	H3	C1	Br4	107.841
H3	C1	Br5	107.841	Br4	C1	Br5	113.737

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.511
2	H	0.248
3	H	0.248
4	Br	0.008
5	Br	0.008

	x	y	z	Total
	0.000	0.000	1.492	1.492
CHELPG
AIM
ESP

<r²>	221.617
(<r²>)^1/2	14.887

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)