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	hartrees
Energy at 0K	-5182.832961
Energy at 298.15K
HF Energy	-5182.832961
Nuclear repulsion energy	352.957045

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	3174	3017	1.30	92.98	0.08	0.15
2	A₁	1458	1386	0.18	12.96	0.74	0.85
3	A₁	605	575	5.94	14.15	0.08	0.16
4	A₁	183	174	0.10	4.06	0.44	0.61
5	A₂	1144	1088	0.00	7.78	0.75	0.86
6	B₁	3268	3106	1.75	59.24	0.75	0.86
7	B₁	821	780	4.21	2.41	0.75	0.86
8	B₂	1240	1179	69.32	1.40	0.75	0.86
9	B₂	678	644	94.31	5.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.940
H2	-0.901	0.000	1.544
H3	0.901	0.000	1.544
Br4	0.000	1.607	-0.125
Br5	0.000	-1.607	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0845	1.0845	1.9278	1.9278
H2	1.0845		1.8026	2.4854	2.4854
H3	1.0845	1.8026		2.4854	2.4854
Br4	1.9278	2.4854	2.4854		3.2137
Br5	1.9278	2.4854	2.4854	3.2137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.427	H2	C1	Br4	107.894
H2	C1	Br5	107.894	H3	C1	Br4	107.894
H3	C1	Br5	107.894	Br4	C1	Br5	112.920

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: M06-2X/6-31G**

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	-0.279
2	H	0.216
3	H	0.216
4	Br	-0.076
5	Br	-0.076

	x	y	z	Total
	0.000	0.000	1.613	1.613
CHELPG
AIM
ESP

<r²>	220.065
(<r²>)^1/2	14.835

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)