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	hartrees
Energy at 0K	-898.769865
Energy at 298.15K	-898.772678
HF Energy	-898.769865
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	917	917	166.84
2	A₁	685	685	176.21
3	A₁	619	619	86.88
4	A₁	460	460	19.64
5	A₁	313	313	41.87
6	A₂	268	268	0.00
7	B₁	1022	1022	108.88
8	B₁	420	420	67.64
9	B₁	105	105	46.63
10	B₂	624	624	186.67
11	B₂	536	536	63.41
12	B₂	338	338	0.40

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-2.010
S2	0.000	0.000	0.650
O3	0.000	1.262	-0.578
O4	0.000	-1.262	-0.578
O5	-1.372	0.000	1.436
O6	1.372	0.000	1.436

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6598	1.9081	1.9081	3.7085	3.7085
S2	2.6598		1.7608	1.7608	1.5807	1.5807
O3	1.9081	1.7608		2.5234	2.7440	2.7440
O4	1.9081	1.7608	2.5234		2.7440	2.7440
O5	3.7085	1.5807	2.7440	2.7440		2.7432
O6	3.7085	1.5807	2.7440	2.7440	2.7432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	92.839	Mg1	O4	S2	92.839
O3	Mg1	O4	82.785	O3	S2	O4	91.537
O3	S2	O5	110.289	O3	S2	O6	110.289
O4	S2	O5	110.289	O4	S2	O6	110.289
O5	S2	O6	120.382

All results from a given calculation for MgSO₄ (Magnesium Sulfate)

using model chemistry: wB97X-D/SDD

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Mg	1.335
2	S	1.410
3	O	-0.805
4	O	-0.805
5	O	-0.568
6	O	-0.568

	x	y	z	Total
	0.000	0.000	-13.449	13.449
CHELPG
AIM
ESP

<r²>	174.287
(<r²>)^1/2	13.202

All results from a given calculation for MgSO4 (Magnesium Sulfate)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for MgSO₄ (Magnesium Sulfate)