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	hartrees
Energy at 0K	-2812.021071
Energy at 298.15K
HF Energy	-2811.693456
Nuclear repulsion energy	164.131242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3045	2920	17.65	202.30	0.00	0.00
2	A₁	1139	1092	0.93	106.45	0.19	0.32
3	A₁	602	578	85.61	12.76	0.14	0.25
4	A₁	296	284	14.08	22.73	0.14	0.25
5	E	3143	3015	12.71	103.03	0.75	0.86
5	E	3143	3015	12.71	103.03	0.75	0.86
6	E	1430	1371	0.24	0.23	0.75	0.86
6	E	1430	1371	0.24	0.23	0.75	0.86
7	E	565	542	71.39	8.14	0.75	0.86
7	E	565	542	71.39	8.14	0.75	0.86
8	E	105	101	29.85	1.30	0.75	0.86
8	E	105	101	29.85	1.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.226
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.251
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		2.0981	4.4765	1.1041	1.1041	1.1041
Mg2	2.0981		2.3785	2.7049	2.7049	2.7049
Br3	4.4765	2.3785		4.9876	4.9876	4.9876
H4	1.1041	2.7049	4.9876		1.7798	1.7798
H5	1.1041	2.7049	4.9876	1.7798		1.7798
H6	1.1041	2.7049	4.9876	1.7798	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.466
Mg2	C1	H5	111.466	Mg2	C1	H6	111.466
H4	C1	H5	107.405	H4	C1	H6	107.405
H5	C1	H6	107.405

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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