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	hartrees
Energy at 0K	-894.570309
Energy at 298.15K	-894.573810
HF Energy	-894.570309
Nuclear repulsion energy	380.845732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1165	1125	224.72
2	A₁	759	733	249.77
3	A₁	748	722	29.03
4	A₁	555	536	4.94
5	A₁	378	365	37.69
6	A₂	339	327	0.00
7	B₁	1354	1308	150.58
8	B₁	500	483	32.71
9	B₁	106	103	37.37
10	B₂	752	727	251.42
11	B₂	614	593	34.53
12	B₂	442	427	4.85

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.884
S2	0.000	0.000	0.590
O3	0.000	1.233	-0.496
O4	0.000	-1.233	-0.496
O5	-1.269	0.000	1.319
O6	1.269	0.000	1.319

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4735	1.8565	1.8565	3.4452	3.4452
S2	2.4735		1.6429	1.6429	1.4635	1.4635
O3	1.8565	1.6429		2.4661	2.5348	2.5348
O4	1.8565	1.6429	2.4661		2.5348	2.5348
O5	3.4452	1.4635	2.5348	2.5348		2.5371
O6	3.4452	1.4635	2.5348	2.5348	2.5371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.742	Mg1	O4	S2	89.742
O3	Mg1	O4	83.240	O3	S2	O4	97.276
O3	S2	O5	109.237	O3	S2	O6	109.237
O4	S2	O5	109.237	O4	S2	O6	109.237
O5	S2	O6	120.185

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

using model chemistry: TPSSh/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	0.708
2	S	1.277
3	O	-0.543
4	O	-0.543
5	O	-0.449
6	O	-0.449

	x	y	z	Total
	0.000	0.000	-11.228	11.228
CHELPG
AIM
ESP

<r²>	153.670
(<r²>)^1/2	12.396

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

using model chemistry: TPSSh/3-21G*

States and conformations

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