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	hartrees
Energy at 0K	-873.153007
Energy at 298.15K
HF Energy	-873.153007
Nuclear repulsion energy	212.363501

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	3150	3150	1.88	91.97	0.06	0.11
2	A₁	1450	1450	0.00	10.24	0.63	0.77
3	A₁	601	601	3.36	15.35	0.07	0.13
4	A₁	173	173	0.08	4.00	0.40	0.58
5	A₂	1128	1128	0.00	3.06	0.75	0.86
6	B₁	3235	3235	1.53	45.88	0.75	0.86
7	B₁	824	824	4.66	1.19	0.75	0.86
8	B₂	1234	1234	65.35	0.00	0.75	0.86
9	B₂	683	683	83.54	5.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.896	0.000	1.536
H3	0.896	0.000	1.536
Br4	0.000	1.613	-0.124
Br5	0.000	-1.613	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0815	1.0815	1.9272	1.9272
H2	1.0815		1.7923	2.4819	2.4819
H3	1.0815	1.7923		2.4819	2.4819
Br4	1.9272	2.4819	2.4819		3.2267
Br5	1.9272	2.4819	2.4819	3.2267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.910	H2	C1	Br4	107.830
H2	C1	Br5	107.830	H3	C1	Br4	107.830
H3	C1	Br5	107.830	Br4	C1	Br5	113.685

All results from a given calculation for CH₂Br₂ (dibromomethane)

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

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	-0.181
2	H	0.136
3	H	0.136
4	Br	-0.046
5	Br	-0.046

	x	y	z	Total
	0.000	0.000	1.461	1.461
CHELPG
AIM
ESP

<r²>	168.685
(<r²>)^1/2	12.988

All results from a given calculation for CH2Br2 (dibromomethane)

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

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)