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	hartrees
Energy at 0K	-5187.609285
Energy at 298.15K
HF Energy	-5187.609285
Nuclear repulsion energy	347.314755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3031	3.03
2	A₁	1436	1388	0.04
3	A₁	569	550	4.08
4	A₁	168	162	0.06
5	A₂	1117	1080	0.00
6	B₁	3223	3116	0.47
7	B₁	814	787	7.06
8	B₂	1226	1185	78.39
9	B₂	613	593	116.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.900	0.000	1.535
H3	0.900	0.000	1.535
Br4	0.000	1.640	-0.124
Br5	0.000	-1.640	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0829	1.0829	1.9510	1.9510
H2	1.0829		1.7996	2.5005	2.5005
H3	1.0829	1.7996		2.5005	2.5005
Br4	1.9510	2.5005	2.5005		3.2804
Br5	1.9510	2.5005	2.5005	3.2804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.375	H2	C1	Br4	107.538
H2	C1	Br5	107.538	H3	C1	Br4	107.538
H3	C1	Br5	107.538	Br4	C1	Br5	114.425

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/6-311G**

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	-0.383
2	H	0.204
3	H	0.204
4	Br	-0.012
5	Br	-0.012

	x	y	z	Total
	0.000	0.000	1.583	1.583
CHELPG
AIM
ESP

<r²>	227.807
(<r²>)^1/2	15.093

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)