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	hartrees
Energy at 0K	-2612.538260
Energy at 298.15K
HF Energy	-2612.093078
Nuclear repulsion energy	89.586971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	3129	15.24
2	A₁	1361	1361	17.09
3	A₁	647	647	9.18
4	E	3236	3236	1.19
4	E	3236	3236	1.19
5	E	1507	1507	5.37
5	E	1507	1507	5.37
6	E	990	990	3.24
6	E	990	990	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.513
Br2	0.000	0.000	0.418
H3	0.000	1.030	-1.847
H4	0.892	-0.515	-1.847
H5	-0.892	-0.515	-1.847

	C1	Br2	H3	H4	H5
C1		1.9307	1.0823	1.0823	1.0823
Br2	1.9307		2.4873	2.4873	2.4873
H3	1.0823	2.4873		1.7834	1.7834
H4	1.0823	2.4873	1.7834		1.7834
H5	1.0823	2.4873	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.947	Br2	C1	H4	107.947
Br2	C1	H5	107.947	H3	C1	H4	110.952
H3	C1	H5	110.952	H4	C1	H5	110.952

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

using model chemistry: MP3/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: MP3/daug-cc-pVTZ

States and conformations

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