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	hartrees
Energy at 0K	-5187.455412
Energy at 298.15K
HF Energy	-5187.455412
Nuclear repulsion energy	348.530001

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	3139	3025	2.44	100.24	0.07	0.13
2	A₁	1444	1392	0.44	16.83	0.64	0.78
3	A₁	571	551	5.21	13.53	0.11	0.20
4	A₁	166	160	0.10	6.24	0.49	0.65
5	A₂	1111	1070	0.00	4.79	0.75	0.86
6	B₁	3230	3113	1.06	56.37	0.75	0.86
7	B₁	812	782	4.96	2.67	0.75	0.86
8	B₂	1220	1176	89.47	1.63	0.75	0.86
9	B₂	621	599	122.88	7.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.902	0.000	1.533
H3	0.902	0.000	1.533
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0826	1.0826	1.9457	1.9457
H2	1.0826		1.8034	2.4951	2.4951
H3	1.0826	1.8034		2.4951	2.4951
Br4	1.9457	2.4951	2.4951		3.2665
Br5	1.9457	2.4951	2.4951	3.2665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.793	H2	C1	Br4	107.507
H2	C1	Br5	107.507	H3	C1	Br4	107.507
H3	C1	Br5	107.507	Br4	C1	Br5	114.151

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: TPSSh/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	-0.147
2	H	0.169
3	H	0.169
4	Br	-0.095
5	Br	-0.095

	x	y	z	Total
	0.000	0.000	1.625	1.625
CHELPG
AIM
ESP

<r²>	226.087
(<r²>)^1/2	15.036

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)