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	hartrees
Energy at 0K	-5183.972217
Energy at 298.15K
HF Energy	-5183.972217
Nuclear repulsion energy	352.898434

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	3292	2991	2.63	87.34	0.06	0.11
2	A₁	1569	1426	0.08	11.04	0.45	0.62
3	A₁	625	568	6.41	26.73	0.09	0.16
4	A₁	186	169	0.13	3.43	0.31	0.48
5	A₂	1227	1115	0.00	0.92	0.75	0.86
6	B₁	3378	3069	2.15	42.70	0.75	0.86
7	B₁	891	809	2.94	0.30	0.75	0.86
8	B₂	1343	1220	89.79	1.91	0.75	0.86
9	B₂	718	652	94.39	9.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.929
H2	-0.887	0.000	1.529
H3	0.887	0.000	1.529
Br4	0.000	1.611	-0.123
Br5	0.000	-1.611	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0708	1.0708	1.9244	1.9244
H2	1.0708		1.7740	2.4725	2.4725
H3	1.0708	1.7740		2.4725	2.4725
Br4	1.9244	2.4725	2.4725		3.2217
Br5	1.9244	2.4725	2.4725	3.2217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.855	H2	C1	Br4	107.849
H2	C1	Br5	107.849	H3	C1	Br4	107.849
H3	C1	Br5	107.849	Br4	C1	Br5	113.663

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HF/aug-cc-pVQZ

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	-0.682
2	H	0.307
3	H	0.307
4	Br	0.034
5	Br	0.034

	x	y	z	Total
	0.000	0.000	1.676	1.676
CHELPG
AIM
ESP

<r²>	221.220
(<r²>)^1/2	14.873

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)