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	hartrees
Energy at 0K	-33.597611
Energy at 298.15K
HF Energy	-33.597611
Nuclear repulsion energy	32.807877

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	3122	3122	18.29	119.26	0.11	0.19
2	A₁	1445	1445	0.18	21.68	0.63	0.77
3	A₁	571	571	6.69	24.70	0.13	0.23
4	A₁	174	174	0.06	10.03	0.56	0.71
5	A₂	1145	1145	0.00	22.61	0.75	0.86
6	B₁	3237	3237	2.26	63.87	0.75	0.86
7	B₁	836	836	12.86	7.06	0.75	0.86
8	B₂	1271	1271	81.96	2.36	0.75	0.86
9	B₂	646	646	124.26	13.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.952
H2	-0.904	0.000	1.554
H3	0.904	0.000	1.554
Br4	0.000	1.662	-0.126
Br5	0.000	-1.662	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0861	1.0861	1.9810	1.9810
H2	1.0861		1.8085	2.5300	2.5300
H3	1.0861	1.8085		2.5300	2.5300
Br4	1.9810	2.5300	2.5300		3.3237
Br5	1.9810	2.5300	2.5300	3.3237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.735	H2	C1	Br4	107.544
H2	C1	Br5	107.544	H3	C1	Br4	107.544
H3	C1	Br5	107.544	Br4	C1	Br5	114.053

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/CEP-121G

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	-0.775
2	H	0.264
3	H	0.264
4	Br	0.123
5	Br	0.123

	x	y	z	Total
	0.000	0.000	1.909	1.909
CHELPG
AIM
ESP

<r²>	71.721
(<r²>)^1/2	8.469

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)