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	hartrees
Energy at 0K	-2812.078821
Energy at 298.15K
HF Energy	-2811.693335
Nuclear repulsion energy	164.180069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2999	2910
2	A₁	1134	1100
3	A₁	586	569
4	A₁	294	285
5	E	3088	2995
5	E	3087	2995
6	E	1422	1379
6	E	1422	1379
7	E	529	513
7	E	529	513
8	E	102	99
8	E	102	99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.222
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.250
H4	0.000	1.030	-3.629
H5	0.892	-0.515	-3.629
H6	-0.892	-0.515	-3.629

	C1	Mg2	Br3	H4	H5	H6
C1		2.0947	4.4726	1.1072	1.1072	1.1072
Mg2	2.0947		2.3779	2.7049	2.7049	2.7049
Br3	4.4726	2.3779		4.9866	4.9866	4.9866
H4	1.1072	2.7049	4.9866		1.7839	1.7839
H5	1.1072	2.7049	4.9866	1.7839		1.7839
H6	1.1072	2.7049	4.9866	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.535
Mg2	C1	H5	111.535	Mg2	C1	H6	111.535
H4	C1	H5	107.331	H4	C1	H6	107.331
H5	C1	H6	107.331

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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