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	hartrees
Energy at 0K	-5186.796562
Energy at 298.15K
HF Energy	-5186.796562
Nuclear repulsion energy	347.068691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3068	3033	1.87	102.04	0.07	0.13
2	A₁	1384	1368	0.05	17.23	0.65	0.79
3	A₁	560	554	3.79	12.34	0.11	0.20
4	A₁	164	162	0.06	6.79	0.48	0.65
5	A₂	1074	1061	0.00	4.89	0.75	0.86
6	B₁	3156	3120	1.37	55.76	0.75	0.86
7	B₁	789	780	6.06	2.72	0.75	0.86
8	B₂	1178	1164	73.39	2.62	0.75	0.86
9	B₂	602	595	125.72	5.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.932
H2	-0.907	0.000	1.538
H3	0.907	0.000	1.538
Br4	0.000	1.641	-0.124
Br5	0.000	-1.641	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0909	1.0909	1.9515	1.9515
H2	1.0909		1.8140	2.5058	2.5058
H3	1.0909	1.8140		2.5058	2.5058
Br4	1.9515	2.5058	2.5058		3.2822
Br5	1.9515	2.5058	2.5058	3.2822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.486	H2	C1	Br4	107.499
H2	C1	Br5	107.499	H3	C1	Br4	107.499
H3	C1	Br5	107.499	Br4	C1	Br5	114.478

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.227
2	H	0.184
3	H	0.184
4	Br	-0.070
5	Br	-0.070

	x	y	z	Total
	0.000	0.000	1.536	1.536
CHELPG
AIM
ESP

<r²>	228.028
(<r²>)^1/2	15.101

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)