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	hartrees
Energy at 0K	-2612.522581
Energy at 298.15K
HF Energy	-2612.092282
Nuclear repulsion energy	89.504031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2905	17.27
2	A₁	1364	1273	20.44
3	A₁	647	604	9.08
4	E	3219	3006	2.44
4	E	3219	3006	2.44
5	E	1499	1400	4.94
5	E	1499	1400	4.94
6	E	983	918	4.01
6	E	983	918	4.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.514
Br2	0.000	0.000	0.418
H3	0.000	1.029	-1.852
H4	0.891	-0.515	-1.852
H5	-0.891	-0.515	-1.852

	C1	Br2	H3	H4	H5
C1		1.9317	1.0833	1.0833	1.0833
Br2	1.9317		2.4924	2.4924	2.4924
H3	1.0833	2.4924		1.7825	1.7825
H4	1.0833	2.4924	1.7825		1.7825
H5	1.0833	2.4924	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.193	Br2	C1	H4	108.193
Br2	C1	H5	108.193	H3	C1	H4	110.719
H3	C1	H5	110.719	H4	C1	H5	110.719

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

using model chemistry: CCD/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/cc-pVTZ

States and conformations

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