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	hartrees
Energy at 0K	-899.043087
Energy at 298.15K	-899.046706
HF Energy	-899.043087
Nuclear repulsion energy	383.933252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1192	1134	257.54
2	A₁	796	758	260.75
3	A₁	751	715	48.47
4	A₁	578	550	9.25
5	A₁	389	370	50.25
6	A₂	352	335	0.00
7	B₁	1368	1302	231.68
8	B₁	537	511	40.05
9	B₁	106	101	41.40
10	B₂	791	752	359.32
11	B₂	626	596	7.19
12	B₂	456	434	1.78

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.888
S2	0.000	0.000	0.583
O3	0.000	1.217	-0.480
O4	0.000	-1.217	-0.480
O5	-1.254	0.000	1.313
O6	1.254	0.000	1.313

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4708	1.8612	1.8612	3.4376	3.4376
S2	2.4708		1.6163	1.6163	1.4513	1.4513
O3	1.8612	1.6163		2.4349	2.5040	2.5040
O4	1.8612	1.6163	2.4349		2.5040	2.5040
O5	3.4376	1.4513	2.5040	2.5040		2.5090
O6	3.4376	1.4513	2.5040	2.5040	2.5090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.274	Mg1	O4	S2	90.274
O3	Mg1	O4	81.709	O3	S2	O4	97.744
O3	S2	O5	109.313	O3	S2	O6	109.313
O4	S2	O5	109.313	O4	S2	O6	109.313
O5	S2	O6	119.627

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

using model chemistry: mPW1PW91/6-31G**

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	1.004
2	S	1.469
3	O	-0.718
4	O	-0.718
5	O	-0.518
6	O	-0.518

	x	y	z	Total
	0.000	0.000	-12.512	12.512
CHELPG
AIM
ESP

<r²>	151.723
(<r²>)^1/2	12.318

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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