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	hartrees
Energy at 0K	-5184.792036
Energy at 298.15K
HF Energy	-5183.964438
Nuclear repulsion energy	354.184673

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.926
H2	-0.893	0.000	1.531
H3	0.893	0.000	1.531
Br4	0.000	1.604	-0.123
Br5	0.000	-1.604	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0781	1.0781	1.9168	1.9168
H2	1.0781		1.7852	2.4710	2.4710
H3	1.0781	1.7852		2.4710	2.4710
Br4	1.9168	2.4710	2.4710		3.2082
Br5	1.9168	2.4710	2.4710	3.2082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.770	H2	C1	Br4	107.881
H2	C1	Br5	107.881	H3	C1	Br4	107.881
H3	C1	Br5	107.881	Br4	C1	Br5	113.617

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: QCISD(T)=FULL/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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All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)