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	hartrees
Energy at 0K	-2612.534995
Energy at 298.15K
HF Energy	-2612.092948
Nuclear repulsion energy	89.559766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3110	2976	16.84
2	A₁	1372	1313	17.97
3	A₁	647	619	9.23
4	E	3217	3079	1.49
4	E	3217	3079	1.49
5	E	1507	1442	5.18
5	E	1507	1442	5.18
6	E	992	949	3.10
6	E	992	949	3.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.513
Br2	0.000	0.000	0.418
H3	0.000	1.031	-1.848
H4	0.893	-0.515	-1.848
H5	-0.893	-0.515	-1.848

	C1	Br2	H3	H4	H5
C1		1.9308	1.0837	1.0837	1.0837
Br2	1.9308		2.4888	2.4888	2.4888
H3	1.0837	2.4888		1.7853	1.7853
H4	1.0837	2.4888	1.7853		1.7853
H5	1.0837	2.4888	1.7853	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.982	Br2	C1	H4	107.982
Br2	C1	H5	107.982	H3	C1	H4	110.918
H3	C1	H5	110.918	H4	C1	H5	110.918

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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