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	hartrees
Energy at 0K	-5182.746614
Energy at 298.15K
HF Energy	-5182.746614
Nuclear repulsion energy	352.268152

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	3177	3014	2.50	84.82	0.09	0.16
2	A₁	1480	1404	0.07	13.13	0.73	0.84
3	A₁	602	571	5.00	14.16	0.09	0.16
4	A₁	181	171	0.09	4.14	0.44	0.61
5	A₂	1151	1092	0.00	7.77	0.75	0.86
6	B₁	3269	3100	0.81	56.17	0.75	0.86
7	B₁	822	780	4.91	2.31	0.75	0.86
8	B₂	1257	1192	71.19	1.10	0.75	0.86
9	B₂	677	642	87.92	5.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.939
H2	-0.900	0.000	1.546
H3	0.900	0.000	1.546
Br4	0.000	1.611	-0.125
Br5	0.000	-1.611	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0855	1.0855	1.9303	1.9303
H2	1.0855		1.8003	2.4890	2.4890
H3	1.0855	1.8003		2.4890	2.4890
Br4	1.9303	2.4890	2.4890		3.2216
Br5	1.9303	2.4890	2.4890	3.2216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.042	H2	C1	Br4	107.938
H2	C1	Br5	107.938	H3	C1	Br4	107.938
H3	C1	Br5	107.938	Br4	C1	Br5	113.120

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/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	-0.358
2	H	0.253
3	H	0.253
4	Br	-0.074
5	Br	-0.074

	x	y	z	Total
	0.000	0.000	1.579	1.579
CHELPG
AIM
ESP

<r²>	220.736
(<r²>)^1/2	14.857

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)