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	hartrees
Energy at 0K	-2609.817114
Energy at 298.15K
HF Energy	-2609.519715
Nuclear repulsion energy	89.094593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	2978	17.31
2	A₁	1400	1315	28.86
3	A₁	633	594	11.08
4	E	3299	3099	1.48
4	E	3299	3099	1.48
5	E	1525	1432	5.07
5	E	1525	1432	5.07
6	E	1010	948	4.57
6	E	1010	948	4.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.523
Br2	0.000	0.000	0.420
H3	0.000	1.030	-1.857
H4	0.892	-0.515	-1.857
H5	-0.892	-0.515	-1.857

	C1	Br2	H3	H4	H5
C1		1.9436	1.0826	1.0826	1.0826
Br2	1.9436		2.4993	2.4993	2.4993
H3	1.0826	2.4993		1.7839	1.7839
H4	1.0826	2.4993	1.7839		1.7839
H5	1.0826	2.4993	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.949	Br2	C1	H4	107.949
Br2	C1	H5	107.949	H3	C1	H4	110.949
H3	C1	H5	110.949	H4	C1	H5	110.949

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

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

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/6-31+G**

States and conformations

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