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	hartrees
Energy at 0K	-899.150984
Energy at 298.15K	-899.154397
HF Energy	-899.150984
Nuclear repulsion energy	381.677095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1123	1106	219.87
2	A₁	725	714	268.30
3	A₁	700	689	6.38
4	A₁	546	538	14.34
5	A₁	372	366	44.45
6	A₂	337	332	0.00
7	B₁	1282	1263	207.54
8	B₁	505	497	22.49
9	B₁	95	94	36.84
10	B₂	714	703	303.39
11	B₂	568	560	41.23
12	B₂	439	433	0.75

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.895
S2	0.000	0.000	0.585
O3	0.000	1.232	-0.485
O4	0.000	-1.232	-0.485
O5	-1.256	0.000	1.322
O6	1.256	0.000	1.322

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4794	1.8722	1.8722	3.4531	3.4531
S2	2.4794		1.6314	1.6314	1.4563	1.4563
O3	1.8722	1.6314		2.4638	2.5217	2.5217
O4	1.8722	1.6314	2.4638		2.5217	2.5217
O5	3.4531	1.4563	2.5217	2.5217		2.5120
O6	3.4531	1.4563	2.5217	2.5217	2.5120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.819	Mg1	O4	S2	89.819
O3	Mg1	O4	82.293	O3	S2	O4	98.070
O3	S2	O5	109.380	O3	S2	O6	109.380
O4	S2	O5	109.380	O4	S2	O6	109.380
O5	S2	O6	119.185

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

using model chemistry: B97D3/aug-cc-pVTZ

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	1.029
2	S	2.287
3	O	-0.821
4	O	-0.821
5	O	-0.838
6	O	-0.838

	x	y	z	Total
	0.000	0.000	-12.187	12.187
CHELPG
AIM
ESP

<r²>	153.625
(<r²>)^1/2	12.395

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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