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	hartrees
Energy at 0K	-2812.185960
Energy at 298.15K
HF Energy	-2811.732698
Nuclear repulsion energy	166.172000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3110	3110	21.37
2	A₁	1210	1210	0.28
3	A₁	621	621	89.86
4	A₁	306	306	14.85
5	E	3190	3190	15.00
5	E	3190	3190	15.00
6	E	1503	1503	0.03
6	E	1503	1503	0.03
7	E	587	587	78.54
7	E	587	587	78.54
8	E	104	104	33.04
8	E	104	104	33.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.188
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		2.0743	4.4237	1.0861	1.0861	1.0861
Mg2	2.0743		2.3494	2.6723	2.6723	2.6723
Br3	4.4237	2.3494		4.9281	4.9281	4.9281
H4	1.0861	2.6723	4.9281		1.7491	1.7491
H5	1.0861	2.6723	4.9281	1.7491		1.7491
H6	1.0861	2.6723	4.9281	1.7491	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.601
Mg2	C1	H5	111.601	Mg2	C1	H6	111.601
H4	C1	H5	107.260	H4	C1	H6	107.260
H5	C1	H6	107.260

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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