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	hartrees
Energy at 0K	-2609.796509
Energy at 298.15K	-2609.802319
HF Energy	-2609.500444
Nuclear repulsion energy	88.676239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2968	13.15
2	A₁	1399	1313	21.45
3	A₁	625	586	11.71
4	E	3278	3076	2.28
4	E	3278	3076	2.28
5	E	1538	1444	5.73
5	E	1538	1444	5.73
6	E	1001	940	5.55
6	E	1001	940	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.523
Br2	0.000	0.000	0.419
H3	0.000	1.039	-1.843
H4	0.900	-0.519	-1.843
H5	-0.900	-0.519	-1.843

	C1	Br2	H3	H4	H5
C1		1.9417	1.0870	1.0870	1.0870
Br2	1.9417		2.4889	2.4889	2.4889
H3	1.0870	2.4889		1.7992	1.7992
H4	1.0870	2.4889	1.7992		1.7992
H5	1.0870	2.4889	1.7992	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.127	Br2	C1	H4	107.127
Br2	C1	H5	107.127	H3	C1	H4	111.710
H3	C1	H5	111.710	H4	C1	H5	111.710

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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