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	hartrees
Energy at 0K	-2812.245026
Energy at 298.15K
HF Energy	-2811.786486
Nuclear repulsion energy	165.847810

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	3054	3054	14.17	202.69	0.00	0.00
2	A₁	1156	1156	0.04	98.06	0.20	0.33
3	A₁	610	610	87.13	11.01	0.16	0.28
4	A₁	303	303	13.76	21.96	0.12	0.21
5	E	3147	3147	10.11	98.48	0.75	0.86
5	E	3147	3147	10.11	98.48	0.75	0.86
6	E	1464	1464	0.15	0.22	0.75	0.86
6	E	1464	1464	0.15	0.22	0.75	0.86
7	E	575	575	72.00	8.10	0.75	0.86
7	E	575	575	72.00	8.10	0.75	0.86
8	E	104	104	30.39	1.43	0.75	0.86
8	E	104	104	30.39	1.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.196
Mg2	0.000	0.000	-1.114
Br3	0.000	0.000	1.238
H4	0.000	1.016	-3.595
H5	0.880	-0.508	-3.595
H6	-0.880	-0.508	-3.595

	C1	Mg2	Br3	H4	H5	H6
C1		2.0827	4.4344	1.0915	1.0915	1.0915
Mg2	2.0827		2.3517	2.6811	2.6811	2.6811
Br3	4.4344	2.3517		4.9384	4.9384	4.9384
H4	1.0915	2.6811	4.9384		1.7602	1.7602
H5	1.0915	2.6811	4.9384	1.7602		1.7602
H6	1.0915	2.6811	4.9384	1.7602	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.402
Mg2	C1	H5	111.402	Mg2	C1	H6	111.402
H4	C1	H5	107.474	H4	C1	H6	107.474
H5	C1	H6	107.473

All results from a given calculation for CH₃MgBr (Methyl Magnesium Bromide)

using model chemistry: MP2/daug-cc-pVTZ

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 CH3MgBr (Methyl Magnesium Bromide)

using model chemistry: MP2/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃MgBr (Methyl Magnesium Bromide)