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	hartrees
Energy at 0K	-2612.666878
Energy at 298.15K
HF Energy	-2611.989672
Nuclear repulsion energy	89.294950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2963	18.48
2	A₁	1401	1327	19.39
3	A₁	646	612	9.74
4	E	3246	3074	2.98
4	E	3246	3074	2.98
5	E	1519	1439	7.60
5	E	1519	1439	7.60
6	E	1008	954	8.34
6	E	1008	954	8.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.516
Br2	0.000	0.000	0.419
H3	0.000	1.031	-1.858
H4	0.893	-0.515	-1.858
H5	-0.893	-0.515	-1.858

	C1	Br2	H3	H4	H5
C1		1.9357	1.0860	1.0860	1.0860
Br2	1.9357		2.4999	2.4999	2.4999
H3	1.0860	2.4999		1.7855	1.7855
H4	1.0860	2.4999	1.7855		1.7855
H5	1.0860	2.4999	1.7855	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.339	Br2	C1	H4	108.339
Br2	C1	H5	108.339	H3	C1	H4	110.579
H3	C1	H5	110.579	H4	C1	H5	110.579

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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