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	hartrees
Energy at 0K	-2609.768742
Energy at 298.15K
HF Energy	-2609.505809
Nuclear repulsion energy	88.944544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	2976	15.23
2	A₁	1394	1306	27.79
3	A₁	632	592	11.32
4	E	3306	3096	2.34
4	E	3306	3096	2.34
5	E	1540	1442	4.08
5	E	1540	1442	4.08
6	E	1003	939	4.75
6	E	1003	939	4.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.527
Br2	0.000	0.000	0.421
H3	0.000	1.031	-1.858
H4	0.893	-0.516	-1.858
H5	-0.893	-0.516	-1.858

	C1	Br2	H3	H4	H5
C1		1.9479	1.0831	1.0831	1.0831
Br2	1.9479		2.5017	2.5017	2.5017
H3	1.0831	2.5017		1.7859	1.7859
H4	1.0831	2.5017	1.7859		1.7859
H5	1.0831	2.5017	1.7859	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.821	Br2	C1	H4	107.821
Br2	C1	H5	107.821	H3	C1	H4	111.070
H3	C1	H5	111.070	H4	C1	H5	111.070

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

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

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: MP2/6-31G**

States and conformations

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