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	hartrees
Energy at 0K	-2599.916756
Energy at 298.15K
HF Energy	-2599.663223
Nuclear repulsion energy	88.112901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	3123	12.93
2	A₁	1421	1421	18.01
3	A₁	627	627	10.77
4	E	3220	3220	4.09
4	E	3220	3220	4.09
5	E	1573	1573	6.83
5	E	1573	1573	6.83
6	E	1008	1008	6.40
6	E	1008	1008	6.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.543
Br2	0.000	0.000	0.425
H3	0.000	1.037	-1.876
H4	0.898	-0.519	-1.876
H5	-0.898	-0.519	-1.876

	C1	Br2	H3	H4	H5
C1		1.9679	1.0893	1.0893	1.0893
Br2	1.9679		2.5238	2.5238	2.5238
H3	1.0893	2.5238		1.7965	1.7965
H4	1.0893	2.5238	1.7965		1.7965
H5	1.0893	2.5238	1.7965	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.790	Br2	C1	H4	107.790
Br2	C1	H5	107.790	H3	C1	H4	111.099
H3	C1	H5	111.099	H4	C1	H5	111.099

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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