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	hartrees
Energy at 0K	-2612.304895
Energy at 298.15K
HF Energy	-2612.000208
Nuclear repulsion energy	88.774377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2976	19.21
2	A₁	1352	1293	25.06
3	A₁	638	611	9.08
4	E	3228	3089	3.67
4	E	3228	3089	3.67
5	E	1480	1416	4.55
5	E	1480	1416	4.55
6	E	976	933	4.64
6	E	976	933	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.523
Br2	0.000	0.000	0.421
H3	0.000	1.044	-1.868
H4	0.904	-0.522	-1.868
H5	-0.904	-0.522	-1.868

	C1	Br2	H3	H4	H5
C1		1.9446	1.0990	1.0990	1.0990
Br2	1.9446		2.5161	2.5161	2.5161
H3	1.0990	2.5161		1.8075	1.8075
H4	1.0990	2.5161	1.8075		1.8075
H5	1.0990	2.5161	1.8075	1.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.287	Br2	C1	H4	108.287
Br2	C1	H5	108.287	H3	C1	H4	110.629
H3	C1	H5	110.629	H4	C1	H5	110.629

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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