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	hartrees
Energy at 0K	-2812.187804
Energy at 298.15K
HF Energy	-2811.732702
Nuclear repulsion energy	166.143277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	3105	22.22
2	A₁	1210	1210	0.18
3	A₁	620	620	89.16
4	A₁	305	305	14.86
5	E	3184	3184	15.71
5	E	3184	3184	15.71
6	E	1502	1502	0.04
6	E	1502	1502	0.04
7	E	586	586	78.29
7	E	586	586	78.29
8	E	104	104	32.96
8	E	104	104	32.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.189
Mg2	0.000	0.000	-1.114
Br3	0.000	0.000	1.236
H4	0.000	1.010	-3.588
H5	0.875	-0.505	-3.588
H6	-0.875	-0.505	-3.588

	C1	Mg2	Br3	H4	H5	H6
C1		2.0749	4.4246	1.0864	1.0864	1.0864
Mg2	2.0749		2.3497	2.6730	2.6730	2.6730
Br3	4.4246	2.3497		4.9291	4.9291	4.9291
H4	1.0864	2.6730	4.9291		1.7496	1.7496
H5	1.0864	2.6730	4.9291	1.7496		1.7496
H6	1.0864	2.6730	4.9291	1.7496	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.599
Mg2	C1	H5	111.599	Mg2	C1	H6	111.599
H4	C1	H5	107.262	H4	C1	H6	107.262
H5	C1	H6	107.262

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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