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	hartrees
Energy at 0K	-899.129750
Energy at 298.15K	-899.133241
HF Energy	-899.129750
Nuclear repulsion energy	381.209555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1154	1108	232.38
2	A₁	754	724	290.07
3	A₁	736	707	0.03
4	A₁	564	542	10.31
5	A₁	382	367	43.52
6	A₂	336	323	0.00
7	B₁	1327	1274	200.19
8	B₁	517	497	34.25
9	B₁	110	105	38.30
10	B₂	749	720	298.65
11	B₂	595	571	28.10
12	B₂	445	428	2.71

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.894
S2	0.000	0.000	0.589
O3	0.000	1.229	-0.490
O4	0.000	-1.229	-0.490
O5	-1.262	0.000	1.322
O6	1.262	0.000	1.322

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4837	1.8660	1.8660	3.4551	3.4551
S2	2.4837		1.6358	1.6358	1.4593	1.4593
O3	1.8660	1.6358		2.4580	2.5273	2.5273
O4	1.8660	1.6358	2.4580		2.5273	2.5273
O5	3.4551	1.4593	2.5273	2.5273		2.5240
O6	3.4551	1.4593	2.5273	2.5273	2.5240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.100	Mg1	O4	S2	90.100
O3	Mg1	O4	82.388	O3	S2	O4	97.411
O3	S2	O5	109.352	O3	S2	O6	109.352
O4	S2	O5	109.352	O4	S2	O6	109.352
O5	S2	O6	119.717

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

using model chemistry: B3LYP/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	0.957
2	S	1.432
3	O	-0.694
4	O	-0.694
5	O	-0.501
6	O	-0.501

	x	y	z	Total
	0.000	0.000	-11.988	11.988
CHELPG
AIM
ESP

<r²>	153.711
(<r²>)^1/2	12.398

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

using model chemistry: B3LYP/6-31G*

States and conformations

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