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	hartrees
Energy at 0K	-898.725773
Energy at 298.15K	-898.729405
HF Energy	-898.725773
Nuclear repulsion energy	384.061789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1188	1141	269.03
2	A₁	787	756	285.89
3	A₁	746	716	37.28
4	A₁	575	552	8.24
5	A₁	388	373	52.77
6	A₂	358	344	0.00
7	B₁	1365	1311	258.04
8	B₁	541	519	43.96
9	B₁	106	102	41.42
10	B₂	770	740	359.52
11	B₂	619	594	9.98
12	B₂	457	439	0.91

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.904
S2	0.000	0.000	0.589
O3	0.000	1.212	-0.476
O4	0.000	-1.212	-0.476
O5	-1.248	0.000	1.315
O6	1.248	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4926	1.8724	1.8724	3.4520	3.4520
S2	2.4926		1.6136	1.6136	1.4435	1.4435
O3	1.8724	1.6136		2.4238	2.4969	2.4969
O4	1.8724	1.6136	2.4238		2.4969	2.4969
O5	3.4520	1.4435	2.4969	2.4969		2.4952
O6	3.4520	1.4435	2.4969	2.4969	2.4952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.981	Mg1	O4	S2	90.981
O3	Mg1	O4	80.670	O3	S2	O4	97.367
O3	S2	O5	109.397	O3	S2	O6	109.397
O4	S2	O5	109.397	O4	S2	O6	109.397
O5	S2	O6	119.598

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

using model chemistry: HSEh1PBE/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	1.060
2	S	1.226
3	O	-0.654
4	O	-0.654
5	O	-0.488
6	O	-0.488

	x	y	z	Total
	0.000	0.000	-12.868	12.868
CHELPG
AIM
ESP

<r²>	152.543
(<r²>)^1/2	12.351

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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