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	hartrees
Energy at 0K	-2609.800812
Energy at 298.15K
HF Energy	-2609.500314
Nuclear repulsion energy	88.570103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2972	15.95
2	A₁	1390	1320	23.21
3	A₁	618	587	11.83
4	E	3241	3078	3.27
4	E	3241	3078	3.27
5	E	1529	1452	5.26
5	E	1529	1452	5.26
6	E	995	945	5.29
6	E	995	945	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.533
Br2	0.000	0.000	0.423
H3	0.000	1.037	-1.866
H4	0.898	-0.518	-1.866
H5	-0.898	-0.518	-1.866

	C1	Br2	H3	H4	H5
C1		1.9555	1.0891	1.0891	1.0891
Br2	1.9555		2.5128	2.5128	2.5128
H3	1.0891	2.5128		1.7958	1.7958
H4	1.0891	2.5128	1.7958		1.7958
H5	1.0891	2.5128	1.7958	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.825	Br2	C1	H4	107.825
Br2	C1	H5	107.825	H3	C1	H4	111.066
H3	C1	H5	111.066	H4	C1	H5	111.066

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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