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	hartrees
Energy at 0K	-2612.702783
Energy at 298.15K
HF Energy	-2612.097906
Nuclear repulsion energy	90.173454

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.501
Br2	0.000	0.000	0.415
H3	0.000	1.025	-1.838
H4	0.888	-0.513	-1.838
H5	-0.888	-0.513	-1.838

	C1	Br2	H3	H4	H5
C1		1.9160	1.0789	1.0789	1.0789
Br2	1.9160		2.4748	2.4748	2.4748
H3	1.0789	2.4748		1.7755	1.7755
H4	1.0789	2.4748	1.7755		1.7755
H5	1.0789	2.4748	1.7755	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.176	Br2	C1	H4	108.176
Br2	C1	H5	108.176	H3	C1	H4	110.735
H3	C1	H5	110.735	H4	C1	H5	110.735

All results from a given calculation for CH₃Br (methyl bromide)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3Br (methyl bromide)

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃Br (methyl bromide)