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	hartrees
Energy at 0K	-2612.713393
Energy at 298.15K
HF Energy	-2612.097951
Nuclear repulsion energy	90.360804

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	3132	2996	15.16	146.94	0.00	0.00
2	A₁	1357	1298	14.77	1.44	0.09	0.17
3	A₁	669	640	8.28	20.50	0.15	0.27
4	E	3250	3108	0.44	47.85	0.75	0.86
4	E	3250	3108	0.44	47.85	0.75	0.86
5	E	1501	1435	5.89	3.36	0.75	0.86
5	E	1501	1435	5.89	3.36	0.75	0.86
6	E	983	941	3.87	0.25	0.75	0.86
6	E	983	941	3.87	0.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.497
Br2	0.000	0.000	0.414
H3	0.000	1.025	-1.834
H4	0.888	-0.513	-1.834
H5	-0.888	-0.513	-1.834

	C1	Br2	H3	H4	H5
C1		1.9110	1.0793	1.0793	1.0793
Br2	1.9110		2.4705	2.4705	2.4705
H3	1.0793	2.4705		1.7761	1.7761
H4	1.0793	2.4705	1.7761		1.7761
H5	1.0793	2.4705	1.7761	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.174	Br2	C1	H4	108.174
Br2	C1	H5	108.174	H3	C1	H4	110.737
H3	C1	H5	110.737	H4	C1	H5	110.737

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

using model chemistry: MP2=FULL/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=FULL/aug-cc-pVQZ

States and conformations

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