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	hartrees
Energy at 0K	-2583.879138
Energy at 298.15K
HF Energy	-2583.812677
Nuclear repulsion energy	89.185118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	2990	1.08
2	A₁	1567	1393	18.15
3	A₁	776	690	4.88
4	E	3548	3154	0.86
4	E	3548	3154	0.86
5	E	1711	1521	2.82
5	E	1711	1521	2.82
6	E	1088	967	0.17
6	E	1088	967	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.506
Br2	0.000	0.000	0.420
H3	0.000	1.037	-1.886
H4	0.898	-0.519	-1.886
H5	-0.898	-0.519	-1.886

	C1	Br2	H3	H4	H5
C1		1.9258	1.1047	1.1047	1.1047
Br2	1.9258		2.5287	2.5287	2.5287
H3	1.1047	2.5287		1.7963	1.7963
H4	1.1047	2.5287	1.7963		1.7963
H5	1.1047	2.5287	1.7963	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	110.146	Br2	C1	H4	110.146
Br2	C1	H5	110.146	H3	C1	H4	108.789
H3	C1	H5	108.789	H4	C1	H5	108.788

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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