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	hartrees
Energy at 0K	-2611.082381
Energy at 298.15K
HF Energy	-2610.991787
Nuclear repulsion energy	88.563030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2977	15.89
2	A₁	1379	1307	27.49
3	A₁	607	576	13.81
4	E	3253	3085	2.87
4	E	3253	3085	2.87
5	E	1528	1449	5.20
5	E	1528	1449	5.20
6	E	988	937	5.63
6	E	988	937	5.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.534
Br2	0.000	0.000	0.423
H3	0.000	1.035	-1.865
H4	0.896	-0.517	-1.865
H5	-0.896	-0.517	-1.865

	C1	Br2	H3	H4	H5
C1		1.9572	1.0863	1.0863	1.0863
Br2	1.9572		2.5109	2.5109	2.5109
H3	1.0863	2.5109		1.7924	1.7924
H4	1.0863	2.5109	1.7924		1.7924
H5	1.0863	2.5109	1.7924	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.716	Br2	C1	H4	107.716
Br2	C1	H5	107.716	H3	C1	H4	111.168
H3	C1	H5	111.168	H4	C1	H5	111.168

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

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