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	hartrees
Energy at 0K	-20.458632
Energy at 298.15K
HF Energy	-20.346694
Nuclear repulsion energy	18.268151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3083	2979	42.91
2	A₁	1388	1341	29.54
3	A₁	576	557	10.66
4	E	3225	3117	24.01
4	E	3225	3117	24.01
5	E	1482	1432	6.21
5	E	1482	1432	6.21
6	E	977	944	9.98
6	E	977	944	9.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.584
Br2	0.000	0.000	0.436
H3	0.000	1.051	-1.920
H4	0.910	-0.526	-1.920
H5	-0.910	-0.526	-1.920

	C1	Br2	H3	H4	H5
C1		2.0203	1.1035	1.1035	1.1035
Br2	2.0203		2.5796	2.5796	2.5796
H3	1.1035	2.5796		1.8210	1.8210
H4	1.1035	2.5796	1.8210		1.8210
H5	1.1035	2.5796	1.8210	1.8210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.690	Br2	C1	H4	107.690
Br2	C1	H5	107.690	H3	C1	H4	111.192
H3	C1	H5	111.192	H4	C1	H5	111.192

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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