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	hartrees
Energy at 0K	-2609.497443
Energy at 298.15K
HF Energy	-2609.355446
Nuclear repulsion energy	86.746910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2977	17.37
2	A₁	1412	1341	22.61
3	A₁	572	543	10.88
4	E	3259	3096	5.72
4	E	3259	3096	5.72
5	E	1545	1468	7.93
5	E	1545	1468	7.93
6	E	993	943	7.40
6	E	993	943	7.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.574
Br2	0.000	0.000	0.433
H3	0.000	1.040	-1.901
H4	0.900	-0.520	-1.901
H5	-0.900	-0.520	-1.901

	C1	Br2	H3	H4	H5
C1		2.0069	1.0897	1.0897	1.0897
Br2	2.0069		2.5546	2.5546	2.5546
H3	1.0897	2.5546		1.8006	1.8006
H4	1.0897	2.5546	1.8006		1.8006
H5	1.0897	2.5546	1.8006	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.444	Br2	C1	H4	107.444
Br2	C1	H5	107.444	H3	C1	H4	111.420
H3	C1	H5	111.420	H4	C1	H5	111.420

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)