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	hartrees
Energy at 0K	-2599.899350
Energy at 298.15K
HF Energy	-2599.663293
Nuclear repulsion energy	88.250304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2969	12.64
2	A₁	1425	1351	19.68
3	A₁	632	599	11.67
4	E	3235	3066	3.08
4	E	3235	3066	3.08
5	E	1581	1499	6.74
5	E	1581	1499	6.74
6	E	1013	960	6.64
6	E	1013	960	6.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.540
Br2	0.000	0.000	0.425
H3	0.000	1.037	-1.873
H4	0.898	-0.518	-1.873
H5	-0.898	-0.518	-1.873

	C1	Br2	H3	H4	H5
C1		1.9645	1.0886	1.0886	1.0886
Br2	1.9645		2.5201	2.5201	2.5201
H3	1.0886	2.5201		1.7954	1.7954
H4	1.0886	2.5201	1.7954		1.7954
H5	1.0886	2.5201	1.7954	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.785	Br2	C1	H4	107.785
Br2	C1	H5	107.785	H3	C1	H4	111.103
H3	C1	H5	111.103	H4	C1	H5	111.103

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

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

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