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	hartrees
Energy at 0K	-5187.620082
Energy at 298.15K
HF Energy	-5187.620082
Nuclear repulsion energy	348.673551

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	3131	3028	0.87	86.04	0.05	0.09
2	A₁	1438	1391	0.00	11.16	0.49	0.65
3	A₁	573	554	3.56	18.86	0.06	0.12
4	A₁	168	163	0.07	4.00	0.34	0.51
5	A₂	1115	1078	0.00	0.94	0.75	0.86
6	B₁	3218	3112	2.96	43.52	0.75	0.86
7	B₁	816	789	3.76	0.36	0.75	0.86
8	B₂	1217	1177	63.91	0.30	0.75	0.86
9	B₂	624	604	105.29	4.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.898	0.000	1.534
H3	0.898	0.000	1.534
Br4	0.000	1.632	-0.124
Br5	0.000	-1.632	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0804	1.0804	1.9454	1.9454
H2	1.0804		1.7967	2.4944	2.4944
H3	1.0804	1.7967		2.4944	2.4944
Br4	1.9454	2.4944	2.4944		3.2648
Br5	1.9454	2.4944	2.4944	3.2648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.512	H2	C1	Br4	107.588
H2	C1	Br5	107.588	H3	C1	Br4	107.588
H3	C1	Br5	107.588	Br4	C1	Br5	114.089

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.378
2	H	0.210
3	H	0.210
4	Br	-0.021
5	Br	-0.021

	x	y	z	Total
	0.000	0.000	1.486	1.486
CHELPG
AIM
ESP

<r²>	226.145
(<r²>)^1/2	15.038

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)