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	hartrees
Energy at 0K	-2809.516286
Energy at 298.15K
HF Energy	-2809.189091
Nuclear repulsion energy	165.727092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3077	2918
2	A₁	1214	1152
3	A₁	607	576
4	A₁	307	291
5	E	3168	3005
5	E	3168	3004
6	E	1509	1431
6	E	1509	1431
7	E	610	579
7	E	610	579
8	E	126	120
8	E	126	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.204
Mg2	0.000	0.000	-1.111
Br3	0.000	0.000	1.239
H4	0.000	1.018	-3.602
H5	0.882	-0.509	-3.602
H6	-0.882	-0.509	-3.602

	C1	Mg2	Br3	H4	H5	H6
C1		2.0924	4.4424	1.0932	1.0932	1.0932
Mg2	2.0924		2.3500	2.6906	2.6906	2.6906
Br3	4.4424	2.3500		4.9465	4.9465	4.9465
H4	1.0932	2.6906	4.9465		1.7635	1.7635
H5	1.0932	2.6906	4.9465	1.7635		1.7635
H6	1.0932	2.6906	4.9465	1.7635	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.361
Mg2	C1	H5	111.361	Mg2	C1	H6	111.361
H4	C1	H5	107.517	H4	C1	H6	107.517
H5	C1	H6	107.517

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

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