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	hartrees
Energy at 0K	-2812.051014
Energy at 298.15K
HF Energy	-2811.694201
Nuclear repulsion energy	164.259839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3035	3035	27.36
2	A₁	1153	1153	1.65
3	A₁	604	604	82.73
4	A₁	297	297	14.34
5	E	3122	3122	17.45
5	E	3122	3122	17.45
6	E	1440	1440	0.20
6	E	1440	1440	0.20
7	E	571	571	72.88
7	E	571	571	72.88
8	E	105	105	30.50
8	E	105	105	30.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.224
Mg2	0.000	0.000	-1.126
Br3	0.000	0.000	1.250
H4	0.000	1.028	-3.630
H5	0.890	-0.514	-3.630
H6	-0.890	-0.514	-3.630

	C1	Mg2	Br3	H4	H5	H6
C1		2.0983	4.4736	1.1049	1.1049	1.1049
Mg2	2.0983		2.3753	2.7070	2.7070	2.7070
Br3	4.4736	2.3753		4.9867	4.9867	4.9867
H4	1.1049	2.7070	4.9867		1.7797	1.7797
H5	1.1049	2.7070	4.9867	1.7797		1.7797
H6	1.1049	2.7070	4.9867	1.7797	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.566
Mg2	C1	H5	111.566	Mg2	C1	H6	111.566
H4	C1	H5	107.298	H4	C1	H6	107.298
H5	C1	H6	107.298

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

using model chemistry: MP3/daug-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: MP3/daug-cc-pVDZ

States and conformations

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