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	hartrees
Energy at 0K	-2612.562868
Energy at 298.15K
HF Energy	-2612.092256
Nuclear repulsion energy	90.007211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	2981	15.77
2	A₁	1359	1290	18.01
3	A₁	657	624	8.24
4	E	3239	3075	1.14
4	E	3239	3075	1.14
5	E	1504	1428	5.39
5	E	1504	1428	5.39
6	E	980	931	4.64
6	E	980	931	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.504
Br2	0.000	0.000	0.416
H3	0.000	1.025	-1.842
H4	0.888	-0.513	-1.842
H5	-0.888	-0.513	-1.842

	C1	Br2	H3	H4	H5
C1		1.9201	1.0792	1.0792	1.0792
Br2	1.9201		2.4794	2.4794	2.4794
H3	1.0792	2.4794		1.7755	1.7755
H4	1.0792	2.4794	1.7755		1.7755
H5	1.0792	2.4794	1.7755	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.221	Br2	C1	H4	108.221
Br2	C1	H5	108.221	H3	C1	H4	110.692
H3	C1	H5	110.692	H4	C1	H5	110.692

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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