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	hartrees
Energy at 0K
Energy at 298.15K	-0.047317
HF Energy	-0.047317
Nuclear repulsion energy	36.340825

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	3281	3196	7.47	112.09	0.00	0.00
2	A₁	1381	1345	0.52	15.44	0.00	0.00
3	A₁	1057	1029	67.94	2.43	0.09	0.16
4	A₁	420	409	21.38	30.47	0.30	0.46
5	E	3201	3118	4.86	91.22	0.75	0.86
5	E	3201	3118	4.86	91.22	0.75	0.86
6	E	1401	1364	0.63	28.59	0.75	0.86
6	E	1401	1364	0.63	28.59	0.75	0.86
7	E	843	821	79.69	0.11	0.75	0.86
7	E	843	821	79.69	0.11	0.75	0.86
8	E	30	29	44.60	0.02	0.75	0.86
8	E	30	29	44.60	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.035
Mg2	0.000	0.000	-1.161
Br3	0.000	0.000	1.210
H4	0.000	1.025	-3.403
H5	0.888	-0.513	-3.403
H6	-0.888	-0.513	-3.403

	C1	Mg2	Br3	H4	H5	H6
C1		1.8734	4.2451	1.0895	1.0895	1.0895
Mg2	1.8734		2.3716	2.4651	2.4651	2.4651
Br3	4.2451	2.3716		4.7260	4.7260	4.7260
H4	1.0895	2.4651	4.7260		1.7759	1.7759
H5	1.0895	2.4651	4.7260	1.7759		1.7759
H6	1.0895	2.4651	4.7260	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	109.759
Mg2	C1	H5	109.759	Mg2	C1	H6	109.759
H4	C1	H5	109.182	H4	C1	H6	109.182
H5	C1	H6	109.182

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

using model chemistry: PM3

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: PM3

States and conformations

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