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	hartrees
Energy at 0K	-5186.740728
Energy at 298.15K
HF Energy	-5186.740728
Nuclear repulsion energy	348.698579

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	3058	3033	0.82	90.61	0.05	0.09
2	A₁	1382	1371	0.05	10.93	0.51	0.68
3	A₁	568	563	2.83	17.17	0.06	0.10
4	A₁	164	163	0.06	4.21	0.35	0.52
5	A₂	1074	1065	0.00	0.94	0.75	0.86
6	B₁	3144	3119	2.79	45.16	0.75	0.86
7	B₁	790	783	4.05	0.36	0.75	0.86
8	B₂	1167	1157	54.09	0.03	0.75	0.86
9	B₂	613	608	111.74	2.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.907	0.000	1.538
H3	0.907	0.000	1.538
Br4	0.000	1.632	-0.124
Br5	0.000	-1.632	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0899	1.0899	1.9441	1.9441
H2	1.0899		1.8132	2.4992	2.4992
H3	1.0899	1.8132		2.4992	2.4992
Br4	1.9441	2.4992	2.4992		3.2638
Br5	1.9441	2.4992	2.4992	3.2638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.569	H2	C1	Br4	107.559
H2	C1	Br5	107.559	H3	C1	Br4	107.559
H3	C1	Br5	107.559	Br4	C1	Br5	114.156

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/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	-0.318
2	H	0.189
3	H	0.189
4	Br	-0.030
5	Br	-0.030

	x	y	z	Total
	0.000	0.000	1.431	1.431
CHELPG
AIM
ESP

<r²>	225.998
(<r²>)^1/2	15.033

All results from a given calculation for CH2Br2 (dibromomethane)

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

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)