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	hartrees
Energy at 0K	-2809.520048
Energy at 298.15K
HF Energy	-2809.189144
Nuclear repulsion energy	166.303877

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	3126	2921	10.27	106.83	0.00	0.00
2	A₁	1221	1141	4.74	57.61	0.08	0.16
3	A₁	620	579	70.15	10.86	0.08	0.14
4	A₁	312	291	12.89	17.40	0.18	0.30
5	E	3228	3016	11.14	110.60	0.75	0.86
5	E	3228	3016	11.14	110.60	0.75	0.86
6	E	1518	1419	0.28	4.17	0.75	0.86
6	E	1518	1419	0.28	4.17	0.75	0.86
7	E	617	577	90.82	2.90	0.75	0.86
7	E	617	577	90.82	2.90	0.75	0.86
8	E	128	119	26.67	0.51	0.75	0.86
8	E	128	119	26.67	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.191
Mg2	0.000	0.000	-1.108
Br3	0.000	0.000	1.235
H4	0.000	1.014	-3.587
H5	0.879	-0.507	-3.587
H6	-0.879	-0.507	-3.587

	C1	Mg2	Br3	H4	H5	H6
C1		2.0830	4.4259	1.0890	1.0890	1.0890
Mg2	2.0830		2.3428	2.6787	2.6787	2.6787
Br3	4.4259	2.3428		4.9275	4.9275	4.9275
H4	1.0890	2.6787	4.9275		1.7570	1.7570
H5	1.0890	2.6787	4.9275	1.7570		1.7570
H6	1.0890	2.6787	4.9275	1.7570	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.331
Mg2	C1	H5	111.331	Mg2	C1	H6	111.331
H4	C1	H5	107.549	H4	C1	H6	107.549
H5	C1	H6	107.550

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

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

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/6-31G**

States and conformations

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