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	hartrees
Energy at 0K	-5186.888943
Energy at 298.15K	-5186.896977
HF Energy	-5186.684580
Nuclear repulsion energy	350.854785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3021	2.07
2	A₁	1452	1393	0.04
3	A₁	589	565	3.76
4	A₁	171	164	0.08
5	A₂	1128	1082	0.00
6	B₁	3233	3102	1.36
7	B₁	827	794	4.20
8	B₂	1230	1180	67.53
9	B₂	656	629	92.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.892	0.000	1.545
H3	0.892	0.000	1.545
Br4	0.000	1.618	-0.124
Br5	0.000	-1.618	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0815	1.0815	1.9335	1.9335
H2	1.0815		1.7847	2.4901	2.4901
H3	1.0815	1.7847		2.4901	2.4901
Br4	1.9335	2.4901	2.4901		3.2370
Br5	1.9335	2.4901	2.4901	3.2370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.202	H2	C1	Br4	108.004
H2	C1	Br5	108.004	H3	C1	Br4	108.004
H3	C1	Br5	108.004	Br4	C1	Br5	113.662

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.184
2	H	0.154
3	H	0.154
4	Br	-0.062
5	Br	-0.062

	x	y	z	Total
	0.000	0.000	1.512	1.512
CHELPG
AIM
ESP

<r²>	223.384
(<r²>)^1/2	14.946

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)