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	hartrees
Energy at 0K	-899.157518
Energy at 298.15K	-899.161154
HF Energy	-899.157518
Nuclear repulsion energy	384.323667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1190	1136	273.61
2	A₁	792	755	288.12
3	A₁	750	715	40.74
4	A₁	577	550	8.54
5	A₁	389	371	54.38
6	A₂	361	345	0.00
7	B₁	1367	1305	266.06
8	B₁	544	520	46.18
9	B₁	108	103	42.32
10	B₂	777	741	369.02
11	B₂	623	595	9.10
12	B₂	459	438	0.80

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.903
S2	0.000	0.000	0.589
O3	0.000	1.210	-0.476
O4	0.000	-1.210	-0.476
O5	-1.247	0.000	1.315
O6	1.247	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4922	1.8715	1.8715	3.4512	3.4512
S2	2.4922		1.6118	1.6118	1.4426	1.4426
O3	1.8715	1.6118		2.4203	2.4950	2.4950
O4	1.8715	1.6118	2.4203		2.4950	2.4950
O5	3.4512	1.4426	2.4950	2.4950		2.4933
O6	3.4512	1.4426	2.4950	2.4950	2.4933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.051	Mg1	O4	S2	91.051
O3	Mg1	O4	80.575	O3	S2	O4	97.323
O3	S2	O5	109.414	O3	S2	O6	109.414
O4	S2	O5	109.414	O4	S2	O6	109.414
O5	S2	O6	119.570

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

using model chemistry: mPW1PW91/6-311G*

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	1.072
2	S	1.243
3	O	-0.663
4	O	-0.663
5	O	-0.495
6	O	-0.495

	x	y	z	Total
	0.000	0.000	-12.994	12.994
CHELPG
AIM
ESP

<r²>	152.327
(<r²>)^1/2	12.342

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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