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	hartrees
Energy at 0K	-2612.578557
Energy at 298.15K
HF Energy	-2612.092359
Nuclear repulsion energy	89.752768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	2940	15.43
2	A₁	1368	1276	18.42
3	A₁	649	606	8.39
4	E	3241	3023	1.82
4	E	3241	3023	1.82
5	E	1511	1409	5.35
5	E	1511	1409	5.35
6	E	983	916	4.28
6	E	983	916	4.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.510
Br2	0.000	0.000	0.417
H3	0.000	1.025	-1.846
H4	0.887	-0.512	-1.846
H5	-0.887	-0.512	-1.846

	C1	Br2	H3	H4	H5
C1		1.9274	1.0781	1.0781	1.0781
Br2	1.9274		2.4842	2.4842	2.4842
H3	1.0781	2.4842		1.7745	1.7745
H4	1.0781	2.4842	1.7745		1.7745
H5	1.0781	2.4842	1.7745	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.144	Br2	C1	H4	108.144
Br2	C1	H5	108.144	H3	C1	H4	110.765
H3	C1	H5	110.765	H4	C1	H5	110.765

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

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

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