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	hartrees
Energy at 0K	-5186.878572
Energy at 298.15K
HF Energy	-5186.878572
Nuclear repulsion energy	351.047003

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	3145	3025	1.99	102.09	0.06	0.12
2	A₁	1409	1355	0.00	11.08	0.73	0.84
3	A₁	593	571	4.27	13.06	0.09	0.17
4	A₁	174	167	0.08	5.55	0.48	0.65
5	A₂	1108	1065	0.00	7.12	0.75	0.86
6	B₁	3242	3118	1.95	58.07	0.75	0.86
7	B₁	810	779	5.76	2.34	0.75	0.86
8	B₂	1204	1158	63.84	0.51	0.75	0.86
9	B₂	661	635	102.89	4.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.907	0.000	1.540
H3	0.907	0.000	1.540
Br4	0.000	1.620	-0.124
Br5	0.000	-1.620	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0940	1.0940	1.9309	1.9309
H2	1.0940		1.8134	2.4925	2.4925
H3	1.0940	1.8134		2.4925	2.4925
Br4	1.9309	2.4925	2.4925		3.2392
Br5	1.9309	2.4925	2.4925	3.2392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.948	H2	C1	Br4	107.739
H2	C1	Br5	107.739	H3	C1	Br4	107.739
H3	C1	Br5	107.739	Br4	C1	Br5	114.021

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.210
2	H	0.142
3	H	0.142
4	Br	-0.037
5	Br	-0.037

	x	y	z	Total
	0.000	0.000	1.495	1.495
CHELPG
AIM
ESP

<r²>	222.667
(<r²>)^1/2	14.922

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)