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	hartrees
Energy at 0K	-894.379169
Energy at 298.15K	-894.382504
HF Energy	-894.379169
Nuclear repulsion energy	378.080778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1131	1131	196.19
2	A₁	734	734	110.15
3	A₁	700	700	150.22
4	A₁	537	537	8.37
5	A₁	368	368	32.23
6	A₂	320	320	0.00
7	B₁	1320	1320	112.38
8	B₁	476	476	20.59
9	B₁	101	101	34.24
10	B₂	714	714	175.75
11	B₂	562	562	71.10
12	B₂	432	432	6.07

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.892
S2	0.000	0.000	0.594
O3	0.000	1.250	-0.501
O4	0.000	-1.250	-0.501
O5	-1.275	0.000	1.326
O6	1.275	0.000	1.326

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4860	1.8701	1.8701	3.4616	3.4616
S2	2.4860		1.6614	1.6614	1.4704	1.4704
O3	1.8701	1.6614		2.4993	2.5545	2.5545
O4	1.8701	1.6614	2.4993		2.5545	2.5545
O5	3.4616	1.4704	2.5545	2.5545		2.5503
O6	3.4616	1.4704	2.5545	2.5545	2.5503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.289	Mg1	O4	S2	89.289
O3	Mg1	O4	83.862	O3	S2	O4	97.560
O3	S2	O5	109.154	O3	S2	O6	109.154
O4	S2	O5	109.154	O4	S2	O6	109.154
O5	S2	O6	120.273

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

using model chemistry: B97D3/3-21G*

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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Number	Element	Mulliken
1	Mg	0.680
2	S	1.224
3	O	-0.525
4	O	-0.525
5	O	-0.427
6	O	-0.427

	x	y	z	Total
	0.000	0.000	-10.748	10.748
CHELPG
AIM
ESP

<r²>	155.516
(<r²>)^1/2	12.471

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

using model chemistry: B97D3/3-21G*

States and conformations

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