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	hartrees
Energy at 0K	-2609.776719
Energy at 298.15K
HF Energy	-2609.500457
Nuclear repulsion energy	88.881355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	2977	13.43
2	A₁	1401	1320	22.73
3	A₁	631	595	11.88
4	E	3283	3093	1.55
4	E	3283	3093	1.55
5	E	1543	1454	5.50
5	E	1543	1454	5.50
6	E	1005	947	5.86
6	E	1005	947	5.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.527
Br2	0.000	0.000	0.421
H3	0.000	1.035	-1.860
H4	0.896	-0.517	-1.860
H5	-0.896	-0.517	-1.860

	C1	Br2	H3	H4	H5
C1		1.9481	1.0867	1.0867	1.0867
Br2	1.9481		2.5044	2.5044	2.5044
H3	1.0867	2.5044		1.7919	1.7919
H4	1.0867	2.5044	1.7919		1.7919
H5	1.0867	2.5044	1.7919	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.822	Br2	C1	H4	107.822
Br2	C1	H5	107.822	H3	C1	H4	111.069
H3	C1	H5	111.069	H4	C1	H5	111.069

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

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

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