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	hartrees
Energy at 0K	-455.567159
Energy at 298.15K
HF Energy	-455.137353
Nuclear repulsion energy	66.746894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	3131	15.57
2	A₁	1359	1359	20.01
3	A₁	645	645	8.84
4	E	3239	3239	2.05
4	E	3239	3239	2.05
5	E	1500	1500	4.95
5	E	1500	1500	4.95
6	E	980	980	4.13
6	E	980	980	4.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.513
Br2	0.000	0.000	0.418
H3	0.000	1.028	-1.849
H4	0.891	-0.514	-1.849
H5	-0.891	-0.514	-1.849

	C1	Br2	H3	H4	H5
C1		1.9310	1.0818	1.0818	1.0818
Br2	1.9310		2.4890	2.4890	2.4890
H3	1.0818	2.4890		1.7814	1.7814
H4	1.0818	2.4890	1.7814		1.7814
H5	1.0818	2.4890	1.7814	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.068	Br2	C1	H4	108.068
Br2	C1	H5	108.068	H3	C1	H4	110.837
H3	C1	H5	110.837	H4	C1	H5	110.837

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

using model chemistry: MP3/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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