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	hartrees
Energy at 0K	-52.847373
Energy at 298.15K
HF Energy	-52.728728
Nuclear repulsion energy	24.892126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	2973	35.25
2	A₁	1397	1348	24.93
3	A₁	580	560	8.43
4	E	3222	3111	14.22
4	E	3222	3111	14.22
5	E	1503	1450	5.94
5	E	1503	1450	5.94
6	E	986	952	11.36
6	E	986	952	11.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.583
Br2	0.000	0.000	0.436
H3	0.000	1.045	-1.916
H4	0.905	-0.522	-1.916
H5	-0.905	-0.522	-1.916

	C1	Br2	H3	H4	H5
C1		2.0189	1.0965	1.0965	1.0965
Br2	2.0189		2.5730	2.5730	2.5730
H3	1.0965	2.5730		1.8097	1.8097
H4	1.0965	2.5730	1.8097		1.8097
H5	1.0965	2.5730	1.8097	1.8097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.652	Br2	C1	H4	107.652
Br2	C1	H5	107.652	H3	C1	H4	111.228
H3	C1	H5	111.228	H4	C1	H5	111.228

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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