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	hartrees
Energy at 0K	-5186.731945
Energy at 298.15K
HF Energy	-5186.731945
Nuclear repulsion energy	347.394365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	3039	2.19
2	A₁	1354	1346	0.02
3	A₁	566	563	3.75
4	A₁	164	164	0.06
5	A₂	1058	1052	0.00
6	B₁	3154	3135	1.15
7	B₁	780	776	5.57
8	B₂	1151	1144	59.92
9	B₂	603	600	120.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.916	0.000	1.545
H3	0.916	0.000	1.545
Br4	0.000	1.638	-0.124
Br5	0.000	-1.638	-0.124

	C1	H2	H3	Br4	Br5
C1		1.1020	1.1020	1.9494	1.9494
H2	1.1020		1.8315	2.5120	2.5120
H3	1.1020	1.8315		2.5120	2.5120
Br4	1.9494	2.5120	2.5120		3.2766
Br5	1.9494	2.5120	2.5120	3.2766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.404	H2	C1	Br4	107.547
H2	C1	Br5	107.547	H3	C1	Br4	107.547
H3	C1	Br5	107.547	Br4	C1	Br5	114.361

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.196
2	H	0.131
3	H	0.131
4	Br	-0.034
5	Br	-0.034

	x	y	z	Total
	0.000	0.000	1.419	1.419
CHELPG
AIM
ESP

<r²>	227.017
(<r²>)^1/2	15.067

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)