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	hartrees
Energy at 0K	-5184.795045
Energy at 298.15K
HF Energy	-5183.870976
Nuclear repulsion energy	352.632858

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.895	0.000	1.538
H3	0.895	0.000	1.538
Br4	0.000	1.610	-0.124
Br5	0.000	-1.610	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0796	1.0796	1.9268	1.9268
H2	1.0796		1.7899	2.4810	2.4810
H3	1.0796	1.7899		2.4810	2.4810
Br4	1.9268	2.4810	2.4810		3.2210
Br5	1.9268	2.4810	2.4810	3.2210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.982	H2	C1	Br4	107.881
H2	C1	Br5	107.881	H3	C1	Br4	107.881
H3	C1	Br5	107.881	Br4	C1	Br5	113.408

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)