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	hartrees
Energy at 0K	-870.700076
Energy at 298.15K
HF Energy	-870.053884
Nuclear repulsion energy	213.289037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3166	2.50
2	A₁	1466	1466	0.06
3	A₁	608	608	3.25
4	A₁	176	176	0.09
5	A₂	1141	1141	0.00
6	B₁	3248	3248	0.91
7	B₁	834	834	3.80
8	B₂	1247	1247	63.43
9	B₂	703	703	63.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.894	0.000	1.537
H3	0.894	0.000	1.537
Br4	0.000	1.605	-0.124
Br5	0.000	-1.605	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0806	1.0806	1.9198	1.9198
H2	1.0806		1.7885	2.4763	2.4763
H3	1.0806	1.7885		2.4763	2.4763
Br4	1.9198	2.4763	2.4763		3.2094
Br5	1.9198	2.4763	2.4763	3.2094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.697	H2	C1	Br4	107.949
H2	C1	Br5	107.949	H3	C1	Br4	107.949
H3	C1	Br5	107.949	Br4	C1	Br5	113.411

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: CCD/cc-pVTZ-PP

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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All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: CCD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)