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	hartrees
Energy at 0K	-2612.540061
Energy at 298.15K
HF Energy	-2612.093036
Nuclear repulsion energy	89.508227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	3105	17.47
2	A₁	1360	1360	19.10
3	A₁	641	641	9.91
4	E	3210	3210	1.71
4	E	3210	3210	1.71
5	E	1504	1504	5.07
5	E	1504	1504	5.06
6	E	989	989	3.07
6	E	989	989	3.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.514
Br2	0.000	0.000	0.418
H3	0.000	1.031	-1.849
H4	0.893	-0.515	-1.849
H5	-0.893	-0.515	-1.849

	C1	Br2	H3	H4	H5
C1		1.9320	1.0839	1.0839	1.0839
Br2	1.9320		2.4903	2.4903	2.4903
H3	1.0839	2.4903		1.7856	1.7856
H4	1.0839	2.4903	1.7856		1.7856
H5	1.0839	2.4903	1.7856	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.994	Br2	C1	H4	107.994
Br2	C1	H5	107.994	H3	C1	H4	110.907
H3	C1	H5	110.907	H4	C1	H5	110.907

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

using model chemistry: CCSD/daug-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/daug-cc-pVTZ

States and conformations

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