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	hartrees
Energy at 0K	-2612.621229
Energy at 298.15K
HF Energy	-2612.092975
Nuclear repulsion energy	89.620991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3110	2997
2	A₁	1356	1307
3	A₁	638	615
4	E	3194	3078
4	E	3194	3078
5	E	1502	1448
5	E	1502	1447
6	E	981	946
6	E	981	945

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.513
Br2	0.000	0.000	0.417
H3	0.000	1.030	-1.845
H4	0.892	-0.515	-1.845
H5	-0.892	-0.515	-1.845

	C1	Br2	H3	H4	H5
C1		1.9300	1.0826	1.0826	1.0826
Br2	1.9300		2.4856	2.4856	2.4856
H3	1.0826	2.4856		1.7848	1.7848
H4	1.0826	2.4856	1.7848		1.7848
H5	1.0826	2.4856	1.7848	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.856	Br2	C1	H4	107.856
Br2	C1	H5	107.856	H3	C1	H4	111.037
H3	C1	H5	111.037	H4	C1	H5	111.037

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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)=FULL/aug-cc-pVTZ

States and conformations

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