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	hartrees
Energy at 0K	-2599.599945
Energy at 298.15K
HF Energy	-2599.448526
Nuclear repulsion energy	86.395999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3017	13.31
2	A₁	1402	1363	17.22
3	A₁	587	570	7.19
4	E	3202	3113	6.44
4	E	3202	3113	6.44
5	E	1552	1509	8.01
5	E	1552	1509	8.01
6	E	977	950	6.99
6	E	977	950	6.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.581
Br2	0.000	0.000	0.435
H3	0.000	1.039	-1.912
H4	0.900	-0.520	-1.912
H5	-0.900	-0.520	-1.912

	C1	Br2	H3	H4	H5
C1		2.0156	1.0906	1.0906	1.0906
Br2	2.0156		2.5667	2.5667	2.5667
H3	1.0906	2.5667		1.7998	1.7998
H4	1.0906	2.5667	1.7998		1.7998
H5	1.0906	2.5667	1.7998	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.686	Br2	C1	H4	107.686
Br2	C1	H5	107.686	H3	C1	H4	111.196
H3	C1	H5	111.196	H4	C1	H5	111.196

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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