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	hartrees
Energy at 0K	-2609.747712
Energy at 298.15K
HF Energy	-2609.500507
Nuclear repulsion energy	88.793542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	2939	15.70
2	A₁	1414	1306	24.77
3	A₁	631	583	13.41
4	E	3296	3044	2.75
4	E	3296	3044	2.75
5	E	1552	1434	5.47
5	E	1552	1434	5.47
6	E	1013	935	5.34
6	E	1013	935	5.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.529
Br2	0.000	0.000	0.422
H3	0.000	1.033	-1.861
H4	0.895	-0.517	-1.861
H5	-0.895	-0.517	-1.861

	C1	Br2	H3	H4	H5
C1		1.9510	1.0852	1.0852	1.0852
Br2	1.9510		2.5061	2.5061	2.5061
H3	1.0852	2.5061		1.7895	1.7895
H4	1.0852	2.5061	1.7895		1.7895
H5	1.0852	2.5061	1.7895	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.822	Br2	C1	H4	107.822
Br2	C1	H5	107.822	H3	C1	H4	111.069
H3	C1	H5	111.069	H4	C1	H5	111.069

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

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

States and conformations

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