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	hartrees
Energy at 0K	-896.617992
Energy at 298.15K	-896.622053
HF Energy	-896.617992
Nuclear repulsion energy	391.266280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1290	1166	365.96
2	A₁	939	849	251.77
3	A₁	819	740	128.17
4	A₁	644	582	8.35
5	A₁	435	393	80.45
6	A₂	425	385	0.00
7	B₁	1459	1319	410.71
8	B₁	638	577	84.74
9	B₁	124	112	47.95
10	B₂	924	836	501.25
11	B₂	705	637	9.64
12	B₂	501	453	0.00

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.583
O3	0.000	1.164	-0.456
O4	0.000	-1.164	-0.456
O5	-1.219	0.000	1.305
O6	1.219	0.000	1.305

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4926	1.8621	1.8621	3.4379	3.4379
S2	2.4926		1.5610	1.5610	1.4168	1.4168
O3	1.8621	1.5610		2.3290	2.4382	2.4382
O4	1.8621	1.5610	2.3290		2.4382	2.4382
O5	3.4379	1.4168	2.4382	2.4382		2.4383
O6	3.4379	1.4168	2.4382	2.4382	2.4383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	93.047	Mg1	O4	S2	93.047
O3	Mg1	O4	77.416	O3	S2	O4	96.490
O3	S2	O5	109.834	O3	S2	O6	109.834
O4	S2	O5	109.834	O4	S2	O6	109.834
O5	S2	O6	118.740

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

using model chemistry: HF/6-311G*

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	1.297
2	S	1.638
3	O	-0.827
4	O	-0.827
5	O	-0.640
6	O	-0.640

	x	y	z	Total
	0.000	0.000	-14.630	14.630
CHELPG
AIM
ESP

<r²>	148.751
(<r²>)^1/2	12.196

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

using model chemistry: HF/6-311G*

States and conformations

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