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	hartrees
Energy at 0K	-5159.345195
Energy at 298.15K
HF Energy	-5159.345195
Nuclear repulsion energy	352.266245

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	3319	2995	3.65	87.83	0.10	0.19
2	A₁	1610	1453	0.06	18.30	0.72	0.84
3	A₁	631	570	6.28	23.25	0.11	0.20
4	A₁	183	165	0.11	4.48	0.48	0.64
5	A₂	1253	1131	0.00	10.94	0.75	0.86
6	B₁	3404	3072	0.67	61.11	0.75	0.86
7	B₁	891	804	6.79	2.82	0.75	0.86
8	B₂	1367	1234	69.66	0.03	0.75	0.86
9	B₂	724	653	75.30	14.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.952
H2	-0.889	0.000	1.552
H3	0.889	0.000	1.552
Br4	0.000	1.608	-0.126
Br5	0.000	-1.608	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0726	1.0726	1.9365	1.9365
H2	1.0726		1.7780	2.4889	2.4889
H3	1.0726	1.7780		2.4889	2.4889
Br4	1.9365	2.4889	2.4889		3.2170
Br5	1.9365	2.4889	2.4889	3.2170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.958	H2	C1	Br4	108.152
H2	C1	Br5	108.152	H3	C1	Br4	108.152
H3	C1	Br5	108.152	Br4	C1	Br5	112.327

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HF/3-21G*

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	-0.497
2	H	0.292
3	H	0.292
4	Br	-0.043
5	Br	-0.043

	x	y	z	Total
	0.000	0.000	1.651	1.651
CHELPG
AIM
ESP

<r²>	220.553
(<r²>)^1/2	14.851

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)