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	hartrees
Energy at 0K	-2609.768908
Energy at 298.15K	-2609.774715
HF Energy	-2609.500302
Nuclear repulsion energy	88.517777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2967	14.90
2	A₁	1392	1317	22.00
3	A₁	622	589	11.24
4	E	3249	3075	3.00
4	E	3249	3075	3.00
5	E	1530	1448	5.35
5	E	1530	1448	5.35
6	E	997	943	5.30
6	E	997	943	5.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.526
Br2	0.000	0.000	0.420
H3	0.000	1.041	-1.848
H4	0.901	-0.520	-1.848
H5	-0.901	-0.520	-1.848

	C1	Br2	H3	H4	H5
C1		1.9461	1.0895	1.0895	1.0895
Br2	1.9461		2.4955	2.4955	2.4955
H3	1.0895	2.4955		1.8028	1.8028
H4	1.0895	2.4955	1.8028		1.8028
H5	1.0895	2.4955	1.8028	1.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.192	Br2	C1	H4	107.192
Br2	C1	H5	107.192	H3	C1	H4	111.651
H3	C1	H5	111.651	H4	C1	H5	111.651

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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