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	hartrees
Energy at 0K	-2612.390710
Energy at 298.15K
HF Energy	-2612.003463
Nuclear repulsion energy	89.024456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3085	2912
2	A₁	1350	1274
3	A₁	628	592
4	E	3195	3016
4	E	3195	3016
5	E	1494	1410
5	E	1493	1409
6	E	976	921
6	E	976	921

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.524
Br2	0.000	0.000	0.421
H3	0.000	1.033	-1.859
H4	0.894	-0.516	-1.859
H5	-0.894	-0.516	-1.859

	C1	Br2	H3	H4	H5
C1		1.9440	1.0860	1.0860	1.0860
Br2	1.9440		2.5026	2.5026	2.5026
H3	1.0860	2.5026		1.7889	1.7889
H4	1.0860	2.5026	1.7889		1.7889
H5	1.0860	2.5026	1.7889	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.996	Br2	C1	H4	107.996
Br2	C1	H5	107.996	H3	C1	H4	110.905
H3	C1	H5	110.905	H4	C1	H5	110.905

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

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

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