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	hartrees
Energy at 0K	-898.933235
Energy at 298.15K	-898.936789
HF Energy	-898.933235
Nuclear repulsion energy	382.283120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1162	1115	267.11
2	A₁	771	740	290.31
3	A₁	740	710	25.69
4	A₁	565	543	11.33
5	A₁	381	365	51.28
6	A₂	349	335	0.00
7	B₁	1326	1273	262.52
8	B₁	525	504	38.77
9	B₁	105	100	40.76
10	B₂	766	735	379.27
11	B₂	613	589	12.24
12	B₂	451	433	0.70

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.899
S2	0.000	0.000	0.586
O3	0.000	1.221	-0.483
O4	0.000	-1.221	-0.483
O5	-1.257	0.000	1.322
O6	1.257	0.000	1.322

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4842	1.8692	1.8692	3.4572	3.4572
S2	2.4842		1.6228	1.6228	1.4570	1.4570
O3	1.8692	1.6228		2.4421	2.5160	2.5160
O4	1.8692	1.6228	2.4421		2.5160	2.5160
O5	3.4572	1.4570	2.5160	2.5160		2.5145
O6	3.4572	1.4570	2.5160	2.5160	2.5145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.412	Mg1	O4	S2	90.412
O3	Mg1	O4	81.573	O3	S2	O4	97.602
O3	S2	O5	109.442	O3	S2	O6	109.442
O4	S2	O5	109.442	O4	S2	O6	109.442
O5	S2	O6	119.291

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

using model chemistry: B3PW91/6-31+G**

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	0.924
2	S	1.707
3	O	-0.721
4	O	-0.721
5	O	-0.595
6	O	-0.595

	x	y	z	Total
	0.000	0.000	-12.853	12.853
CHELPG
AIM
ESP

<r²>	153.481
(<r²>)^1/2	12.389

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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