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	hartrees
Energy at 0K	-5187.043219
Energy at 298.15K
HF Energy	-5187.043219
Nuclear repulsion energy	352.305314

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	3145	0.87	96.40	0.04	0.08
2	A₁	1433	1433	0.05	9.97	0.52	0.68
3	A₁	596	596	3.38	17.86	0.06	0.12
4	A₁	172	172	0.08	3.43	0.32	0.49
5	A₂	1120	1120	0.00	0.86	0.75	0.86
6	B₁	3230	3230	3.28	44.01	0.75	0.86
7	B₁	820	820	3.83	0.29	0.75	0.86
8	B₂	1216	1216	58.34	0.26	0.75	0.86
9	B₂	664	664	94.34	3.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.898	0.000	1.533
H3	0.898	0.000	1.533
Br4	0.000	1.614	-0.123
Br5	0.000	-1.614	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0825	1.0825	1.9258	1.9258
H2	1.0825		1.7953	2.4805	2.4805
H3	1.0825	1.7953		2.4805	2.4805
Br4	1.9258	2.4805	2.4805		3.2272
Br5	1.9258	2.4805	2.4805	3.2272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.036	H2	C1	Br4	107.765
H2	C1	Br5	107.765	H3	C1	Br4	107.765
H3	C1	Br5	107.765	Br4	C1	Br5	113.829

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

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	-0.142
2	H	0.359
3	H	0.359
4	Br	-0.289
5	Br	-0.289

	x	y	z	Total
	0.000	0.000	1.480	1.480
CHELPG
AIM
ESP

<r²>	221.610
(<r²>)^1/2	14.887

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)