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	hartrees
Energy at 0K	-5184.762850
Energy at 298.15K
HF Energy	-5183.871005
Nuclear repulsion energy	353.637296

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.892	0.000	1.535
H3	0.892	0.000	1.535
Br4	0.000	1.606	-0.124
Br5	0.000	-1.606	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0777	1.0777	1.9206	1.9206
H2	1.0777		1.7835	2.4749	2.4749
H3	1.0777	1.7835		2.4749	2.4749
Br4	1.9206	2.4749	2.4749		3.2124
Br5	1.9206	2.4749	2.4749	3.2124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.673	H2	C1	Br4	107.933
H2	C1	Br5	107.933	H3	C1	Br4	107.933
H3	C1	Br5	107.933	Br4	C1	Br5	113.499

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: CCSD=FULL/Def2TZVPP

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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)