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	hartrees
Energy at 0K
Energy at 298.15K	-0.003190
HF Energy	-0.003190
Nuclear repulsion energy	35.140760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3207	3124	0.79	91.20	0.05	0.10
2	A₁	1336	1301	93.99	17.82	0.17	0.29
3	A₁	659	642	39.60	69.30	0.35	0.52
4	E	3159	3077	4.55	60.37	0.75	0.86
4	E	3159	3077	4.55	60.37	0.75	0.86
5	E	1369	1333	1.16	25.59	0.75	0.86
5	E	1369	1333	1.16	25.59	0.75	0.86
6	E	978	953	0.11	22.19	0.75	0.86
6	E	978	953	0.11	22.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.528
Br2	0.000	0.000	0.423
H3	0.000	1.034	-1.874
H4	0.896	-0.517	-1.874
H5	-0.896	-0.517	-1.874

	C1	Br2	H3	H4	H5
C1		1.9511	1.0904	1.0904	1.0904
Br2	1.9511		2.5183	2.5183	2.5183
H3	1.0904	2.5183		1.7915	1.7915
H4	1.0904	2.5183	1.7915		1.7915
H5	1.0904	2.5183	1.7915	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.448	Br2	C1	H4	108.448
Br2	C1	H5	108.448	H3	C1	H4	110.474
H3	C1	H5	110.474	H4	C1	H5	110.474

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

using model chemistry: PM3

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: PM3

States and conformations

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