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	hartrees
Energy at 0K	-2609.485600
Energy at 298.15K
HF Energy	-2609.355427
Nuclear repulsion energy	86.697480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2997	17.35
2	A₁	1411	1350	22.84
3	A₁	570	546	11.11
4	E	3258	3117	5.72
4	E	3258	3117	5.72
5	E	1546	1479	7.93
5	E	1546	1479	7.93
6	E	993	950	7.33
6	E	993	950	7.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.575
Br2	0.000	0.000	0.433
H3	0.000	1.040	-1.902
H4	0.901	-0.520	-1.902
H5	-0.901	-0.520	-1.902

	C1	Br2	H3	H4	H5
C1		2.0083	1.0898	1.0898	1.0898
Br2	2.0083		2.5557	2.5557	2.5557
H3	1.0898	2.5557		1.8011	1.8011
H4	1.0898	2.5557	1.8011		1.8011
H5	1.0898	2.5557	1.8011	1.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.421	Br2	C1	H4	107.421
Br2	C1	H5	107.421	H3	C1	H4	111.441
H3	C1	H5	111.441	H4	C1	H5	111.441

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)