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	hartrees
Energy at 0K	-2609.508268
Energy at 298.15K
HF Energy	-2609.354977
Nuclear repulsion energy	86.087466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2973	15.78
2	A₁	1377	1327	23.15
3	A₁	541	521	11.77
4	E	3203	3087	6.93
4	E	3203	3087	6.93
5	E	1519	1464	7.38
5	E	1519	1464	7.38
6	E	971	936	6.60
6	E	971	936	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.589
Br2	0.000	0.000	0.436
H3	0.000	1.045	-1.910
H4	0.905	-0.523	-1.910
H5	-0.905	-0.523	-1.910

	C1	Br2	H3	H4	H5
C1		2.0254	1.0934	1.0934	1.0934
Br2	2.0254		2.5687	2.5687	2.5687
H3	1.0934	2.5687		1.8103	1.8103
H4	1.0934	2.5687	1.8103		1.8103
H5	1.0934	2.5687	1.8103	1.8103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.078	Br2	C1	H4	107.078
Br2	C1	H5	107.078	H3	C1	H4	111.754
H3	C1	H5	111.754	H4	C1	H5	111.754

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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