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	hartrees
Energy at 0K	-5163.140145
Energy at 298.15K
HF Energy	-5163.140145
Nuclear repulsion energy	344.920744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	3045	4.38
2	A₁	1449	1440	0.11
3	A₁	553	550	3.84
4	A₁	157	156	0.05
5	A₂	1098	1091	0.00
6	B₁	3149	3129	0.09
7	B₁	794	789	7.34
8	B₂	1199	1191	56.83
9	B₂	580	577	110.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.962
H2	-0.910	0.000	1.567
H3	0.910	0.000	1.567
Br4	0.000	1.646	-0.127
Br5	0.000	-1.646	-0.127

	C1	H2	H3	Br4	Br5
C1		1.0928	1.0928	1.9735	1.9735
H2	1.0928		1.8194	2.5314	2.5314
H3	1.0928	1.8194		2.5314	2.5314
Br4	1.9735	2.5314	2.5314		3.2916
Br5	1.9735	2.5314	2.5314	3.2916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.699	H2	C1	Br4	107.806
H2	C1	Br5	107.806	H3	C1	Br4	107.806
H3	C1	Br5	107.806	Br4	C1	Br5	113.012

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/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	-0.471
2	H	0.257
3	H	0.257
4	Br	-0.021
5	Br	-0.021

	x	y	z	Total
	0.000	0.000	1.407	1.407
CHELPG
AIM
ESP

<r²>	228.933
(<r²>)^1/2	15.131

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)