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	hartrees
Energy at 0K	-2812.357666
Energy at 298.15K
HF Energy	-2811.785352
Nuclear repulsion energy	167.495178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3037	2906
2	A₁	1170	1120
3	A₁	635	608
4	A₁	315	302
5	E	3097	2963
5	E	3097	2963
6	E	1465	1402
6	E	1465	1402
7	E	562	538
7	E	561	537
8	E	116	111
8	E	116	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.163
Mg2	0.000	0.000	-1.101
Br3	0.000	0.000	1.225
H4	0.000	1.014	-3.564
H5	0.878	-0.507	-3.564
H6	-0.878	-0.507	-3.564

	C1	Mg2	Br3	H4	H5	H6
C1		2.0623	4.3883	1.0901	1.0901	1.0901
Mg2	2.0623		2.3261	2.6632	2.6632	2.6632
Br3	4.3883	2.3261		4.8949	4.8949	4.8949
H4	1.0901	2.6632	4.8949		1.7561	1.7561
H5	1.0901	2.6632	4.8949	1.7561		1.7561
H6	1.0901	2.6632	4.8949	1.7561	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.550
Mg2	C1	H5	111.550	Mg2	C1	H6	111.550
H4	C1	H5	107.315	H4	C1	H6	107.315
H5	C1	H6	107.315

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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: QCISD(T)=FULL/cc-pVTZ

States and conformations

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