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	hartrees
Energy at 0K	-5163.012337
Energy at 298.15K
HF Energy	-5163.012337
Nuclear repulsion energy	344.061047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3045	2.42
2	A₁	1487	1420	0.75
3	A₁	568	542	4.68
4	A₁	170	162	0.08
5	A₂	1161	1109	0.00
6	B₁	3280	3131	0.09
7	B₁	820	783	10.85
8	B₂	1264	1207	54.66
9	B₂	660	630	101.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
H2	-0.899	0.000	1.548
H3	0.899	0.000	1.548
Br4	0.000	1.656	-0.125
Br5	0.000	-1.656	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0843	1.0843	1.9703	1.9703
H2	1.0843		1.7983	2.5202	2.5202
H3	1.0843	1.7983		2.5202	2.5202
Br4	1.9703	2.5202	2.5202		3.3123
Br5	1.9703	2.5202	2.5202	3.3123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.032	H2	C1	Br4	107.625
H2	C1	Br5	107.625	H3	C1	Br4	107.625
H3	C1	Br5	107.625	Br4	C1	Br5	114.401

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: mPW1PW91/3-21G

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	-0.896
2	H	0.326
3	H	0.326
4	Br	0.122
5	Br	0.122

	x	y	z	Total
	0.000	0.000	1.613	1.613
CHELPG
AIM
ESP

<r²>	231.339
(<r²>)^1/2	15.210

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)