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	hartrees
Energy at 0K	-2809.535928
Energy at 298.15K
HF Energy	-2809.201147
Nuclear repulsion energy	165.824733

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	3110	2921	22.52	150.62	0.00	0.00
2	A₁	1201	1128	0.22	129.60	0.15	0.25
3	A₁	617	580	79.30	11.97	0.15	0.26
4	A₁	305	287	15.59	20.79	0.17	0.29
5	E	3216	3020	10.52	112.96	0.75	0.86
5	E	3216	3020	10.52	112.96	0.75	0.86
6	E	1495	1404	0.12	1.30	0.75	0.86
6	E	1495	1404	0.12	1.30	0.75	0.86
7	E	614	577	80.52	5.83	0.75	0.86
7	E	614	577	80.52	5.83	0.75	0.86
8	E	162	152	27.71	1.11	0.75	0.86
8	E	162	152	27.71	1.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.197
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.238
H4	0.000	1.017	-3.588
H5	0.881	-0.509	-3.588
H6	-0.881	-0.509	-3.588

	C1	Mg2	Br3	H4	H5	H6
C1		2.0815	4.4350	1.0902	1.0902	1.0902
Mg2	2.0815		2.3535	2.6741	2.6741	2.6741
Br3	4.4350	2.3535		4.9325	4.9325	4.9325
H4	1.0902	2.6741	4.9325		1.7623	1.7623
H5	1.0902	2.6741	4.9325	1.7623		1.7623
H6	1.0902	2.6741	4.9325	1.7623	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.042
Mg2	C1	H5	111.042	Mg2	C1	H6	111.042
H4	C1	H5	107.856	H4	C1	H6	107.856
H5	C1	H6	107.856

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

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

States and conformations

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