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	hartrees
Energy at 0K	-2610.052807
Energy at 298.15K
HF Energy	-2609.686149
Nuclear repulsion energy	89.578698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3115	3115
2	A₁	1363	1363
3	A₁	645	645
4	E	3223	3223
4	E	3223	3223
5	E	1501	1501
5	E	1501	1501
6	E	983	983
6	E	983	983

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.509
Br2	0.000	0.000	0.418
H3	0.000	1.032	-1.855
H4	0.893	-0.516	-1.855
H5	-0.893	-0.516	-1.855

	C1	Br2	H3	H4	H5
C1		1.9267	1.0881	1.0881	1.0881
Br2	1.9267		2.4962	2.4962	2.4962
H3	1.0881	2.4962		1.7866	1.7866
H4	1.0881	2.4962	1.7866		1.7866
H5	1.0881	2.4962	1.7866	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.564	Br2	C1	H4	108.564
Br2	C1	H5	108.564	H3	C1	H4	110.363
H3	C1	H5	110.363	H4	C1	H5	110.363

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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: CCSD(T)/6-31G(2df,p)

States and conformations

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