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	hartrees
Energy at 0K	-2609.801237
Energy at 298.15K
HF Energy	-2609.505835
Nuclear repulsion energy	89.087353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	2972	15.15
2	A₁	1397	1306	27.13
3	A₁	635	593	11.14
4	E	3310	3093	2.23
4	E	3310	3093	2.23
5	E	1542	1441	4.18
5	E	1542	1441	4.18
6	E	1004	938	4.87
6	E	1004	938	4.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.524
Br2	0.000	0.000	0.420
H3	0.000	1.030	-1.856
H4	0.892	-0.515	-1.856
H5	-0.892	-0.515	-1.856

	C1	Br2	H3	H4	H5
C1		1.9443	1.0820	1.0820	1.0820
Br2	1.9443		2.4985	2.4985	2.4985
H3	1.0820	2.4985		1.7836	1.7836
H4	1.0820	2.4985	1.7836		1.7836
H5	1.0820	2.4985	1.7836	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.871	Br2	C1	H4	107.871
Br2	C1	H5	107.871	H3	C1	H4	111.023
H3	C1	H5	111.023	H4	C1	H5	111.023

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

using model chemistry: MP2=FULL/6-31G**

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**

States and conformations

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