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	hartrees
Energy at 0K	-5186.861570
Energy at 298.15K
HF Energy	-5186.861570
Nuclear repulsion energy	350.844778

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	3155	3028	4.21	88.36	0.08	0.14
2	A₁	1454	1395	0.00	12.63	0.67	0.81
3	A₁	592	568	3.82	13.77	0.09	0.17
4	A₁	174	167	0.07	5.67	0.48	0.65
5	A₂	1146	1099	0.00	7.35	0.75	0.86
6	B₁	3242	3111	0.26	52.82	0.75	0.86
7	B₁	828	794	8.62	2.40	0.75	0.86
8	B₂	1249	1198	76.17	1.45	0.75	0.86
9	B₂	657	631	108.10	5.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.925
H2	-0.897	0.000	1.535
H3	0.897	0.000	1.535
Br4	0.000	1.622	-0.123
Br5	0.000	-1.622	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0842	1.0842	1.9313	1.9313
H2	1.0842		1.7933	2.4867	2.4867
H3	1.0842	1.7933		2.4867	2.4867
Br4	1.9313	2.4867	2.4867		3.2441
Br5	1.9313	2.4867	2.4867	3.2441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.578	H2	C1	Br4	107.769
H2	C1	Br5	107.769	H3	C1	Br4	107.769
H3	C1	Br5	107.769	Br4	C1	Br5	114.254

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HSEh1PBE/6-311G*

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	-0.657
2	H	0.312
3	H	0.312
4	Br	0.017
5	Br	0.017

	x	y	z	Total
	0.000	0.000	1.592	1.592
CHELPG
AIM
ESP

<r²>	223.450
(<r²>)^1/2	14.948

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)