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	hartrees
Energy at 0K	-2610.100673
Energy at 298.15K	-2610.106523
HF Energy	-2609.686043
Nuclear repulsion energy	90.749680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	2965	12.05
2	A₁	1387	1304	13.80
3	A₁	688	647	7.46
4	E	3269	3073	0.63
4	E	3269	3073	0.63
5	E	1526	1434	5.12
5	E	1526	1434	5.12
6	E	1007	947	5.06
6	E	1007	947	5.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.475
Br2	0.000	0.000	0.407
H3	0.000	1.034	-1.800
H4	0.895	-0.517	-1.800
H5	-0.895	-0.517	-1.800

	C1	Br2	H3	H4	H5
C1		1.8824	1.0835	1.0835	1.0835
Br2	1.8824		2.4370	2.4370	2.4370
H3	1.0835	2.4370		1.7906	1.7906
H4	1.0835	2.4370	1.7906		1.7906
H5	1.0835	2.4370	1.7906	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.426	Br2	C1	H4	107.426
Br2	C1	H5	107.426	H3	C1	H4	111.437
H3	C1	H5	111.437	H4	C1	H5	111.437

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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