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	hartrees
Energy at 0K	-455.569337
Energy at 298.15K
HF Energy	-455.137313
Nuclear repulsion energy	66.669095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2964	17.81
2	A₁	1357	1294	22.15
3	A₁	638	608	9.72
4	E	3213	3065	2.65
4	E	3213	3065	2.65
5	E	1497	1428	4.66
5	E	1497	1428	4.66
6	E	978	933	3.94
6	E	978	933	3.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.515
Br2	0.000	0.000	0.418
H3	0.000	1.030	-1.851
H4	0.892	-0.515	-1.851
H5	-0.892	-0.515	-1.851

	C1	Br2	H3	H4	H5
C1		1.9331	1.0835	1.0835	1.0835
Br2	1.9331		2.4921	2.4921	2.4921
H3	1.0835	2.4921		1.7840	1.7840
H4	1.0835	2.4921	1.7840		1.7840
H5	1.0835	2.4921	1.7840	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.078	Br2	C1	H4	108.078
Br2	C1	H5	108.078	H3	C1	H4	110.828
H3	C1	H5	110.828	H4	C1	H5	110.828

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

using model chemistry: CCSD/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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