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	hartrees
Energy at 0K	-2609.776274
Energy at 298.15K
HF Energy	-2609.500157
Nuclear repulsion energy	88.268772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3113	2973
2	A₁	1378	1315
3	A₁	609	581
4	E	3230	3084
4	E	3230	3084
5	E	1523	1454
5	E	1522	1454
6	E	986	941
6	E	986	941

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.539
Br2	0.000	0.000	0.424
H3	0.000	1.039	-1.871
H4	0.900	-0.519	-1.871
H5	-0.900	-0.519	-1.871

	C1	Br2	H3	H4	H5
C1		1.9633	1.0907	1.0907	1.0907
Br2	1.9633		2.5196	2.5196	2.5196
H3	1.0907	2.5196		1.7994	1.7994
H4	1.0907	2.5196	1.7994		1.7994
H5	1.0907	2.5196	1.7994	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.725	Br2	C1	H4	107.725
Br2	C1	H5	107.725	H3	C1	H4	111.160
H3	C1	H5	111.160	H4	C1	H5	111.160

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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