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	hartrees
Energy at 0K	-2798.499197
Energy at 298.15K
HF Energy	-2798.249822
Nuclear repulsion energy	167.402020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3051	2851	17.56
2	A₁	1294	1209	0.48
3	A₁	635	593	60.97
4	A₁	323	302	11.16
5	E	3124	2919	15.93
5	E	3124	2919	15.93
6	E	1573	1470	0.06
6	E	1573	1470	0.06
7	E	660	616	107.36
7	E	660	616	107.36
8	E	124	116	24.89
8	E	124	116	24.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.183
Mg2	0.000	0.000	-1.089
Br3	0.000	0.000	1.225
H4	0.000	1.026	-3.574
H5	0.888	-0.513	-3.574
H6	-0.888	-0.513	-3.574

	C1	Mg2	Br3	H4	H5	H6
C1		2.0931	4.4080	1.0979	1.0979	1.0979
Mg2	2.0931		2.3149	2.6877	2.6877	2.6877
Br3	4.4080	2.3149		4.9076	4.9076	4.9076
H4	1.0979	2.6877	4.9076		1.7769	1.7769
H5	1.0979	2.6877	4.9076	1.7769		1.7769
H6	1.0979	2.6877	4.9076	1.7769	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	110.870
Mg2	C1	H5	110.870	Mg2	C1	H6	110.870
H4	C1	H5	108.037	H4	C1	H6	108.037
H5	C1	H6	108.037

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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