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	hartrees
Energy at 0K	-5187.659930
Energy at 298.15K
HF Energy	-5187.659930
Nuclear repulsion energy	352.334160

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	3142	3142	1.12	84.57	0.05	0.09
2	A₁	1452	1452	0.14	10.23	0.50	0.67
3	A₁	602	602	3.38	17.99	0.06	0.12
4	A₁	175	175	0.09	3.34	0.34	0.51
5	A₂	1136	1136	0.00	1.04	0.75	0.86
6	B₁	3228	3228	2.93	41.77	0.75	0.86
7	B₁	825	825	3.82	0.31	0.75	0.86
8	B₂	1237	1237	60.24	0.34	0.75	0.86
9	B₂	685	685	84.29	4.85	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		1.0819	1.0819	1.9258	1.9258
H2	1.0819		1.7916	2.4809	2.4809
H3	1.0819	1.7916		2.4809	2.4809
Br4	1.9258	2.4809	2.4809		3.2268
Br5	1.9258	2.4809	2.4809	3.2268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.789	H2	C1	Br4	107.827
H2	C1	Br5	107.827	H3	C1	Br4	107.827
H3	C1	Br5	107.827	Br4	C1	Br5	113.814

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.350
2	H	0.207
3	H	0.207
4	Br	-0.032
5	Br	-0.032

	x	y	z	Total
	0.000	0.000	1.485	1.485
CHELPG
AIM
ESP

<r²>	221.505
(<r²>)^1/2	14.883

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)