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	hartrees
Energy at 0K	-2612.600868
Energy at 298.15K
HF Energy	-2612.098011
Nuclear repulsion energy	90.090245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3121	2964	15.38	148.07	0.00	0.00
2	A₁	1353	1285	15.91	1.43	0.10	0.17
3	A₁	660	627	9.11	20.96	0.15	0.27
4	E	3239	3076	0.54	48.13	0.75	0.86
4	E	3239	3076	0.54	48.13	0.75	0.86
5	E	1497	1422	5.59	3.39	0.75	0.86
5	E	1497	1422	5.59	3.39	0.75	0.86
6	E	984	934	3.64	0.27	0.75	0.86
6	E	984	934	3.64	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.502
Br2	0.000	0.000	0.415
H3	0.000	1.028	-1.838
H4	0.891	-0.514	-1.838
H5	-0.891	-0.514	-1.838

	C1	Br2	H3	H4	H5
C1		1.9174	1.0817	1.0817	1.0817
Br2	1.9174		2.4767	2.4767	2.4767
H3	1.0817	2.4767		1.7811	1.7811
H4	1.0817	2.4767	1.7811		1.7811
H5	1.0817	2.4767	1.7811	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.081	Br2	C1	H4	108.081
Br2	C1	H5	108.081	H3	C1	H4	110.825
H3	C1	H5	110.825	H4	C1	H5	110.825

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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