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	hartrees
Energy at 0K	-2798.150950
Energy at 298.15K
HF Energy	-2797.997158
Nuclear repulsion energy	162.522804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3035	2857	22.38
2	A₁	1307	1230	0.96
3	A₁	616	579	43.21
4	A₁	296	279	10.61
5	E	3104	2922	19.03
5	E	3104	2922	19.03
6	E	1560	1468	0.04
6	E	1560	1468	0.04
7	E	676	636	113.37
7	E	676	636	113.37
8	E	95	89	27.15
8	E	95	89	27.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.255
Mg2	0.000	0.000	-1.146
Br3	0.000	0.000	1.264
H4	0.000	1.024	-3.654
H5	0.887	-0.512	-3.654
H6	-0.887	-0.512	-3.654

	C1	Mg2	Br3	H4	H5	H6
C1		2.1093	4.5194	1.0991	1.0991	1.0991
Mg2	2.1093		2.4101	2.7090	2.7090	2.7090
Br3	4.5194	2.4101		5.0235	5.0235	5.0235
H4	1.0991	2.7090	5.0235		1.7742	1.7742
H5	1.0991	2.7090	5.0235	1.7742		1.7742
H6	1.0991	2.7090	5.0235	1.7742	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.259
Mg2	C1	H5	111.259	Mg2	C1	H6	111.259
H4	C1	H5	107.625	H4	C1	H6	107.625
H5	C1	H6	107.625

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)