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	hartrees
Energy at 0K	-899.130857
Energy at 298.15K	-899.134295
HF Energy	-899.130857
Nuclear repulsion energy	380.680481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1151	1104	234.89
2	A₁	751	720	281.91
3	A₁	729	700	3.73
4	A₁	555	532	9.94
5	A₁	374	359	43.51
6	A₂	329	315	0.00
7	B₁	1325	1271	198.79
8	B₁	507	486	32.23
9	B₁	103	99	39.08
10	B₂	747	717	304.44
11	B₂	595	570	26.15
12	B₂	438	420	2.17

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.894
S2	0.000	0.000	0.588
O3	0.000	1.234	-0.489
O4	0.000	-1.234	-0.489
O5	-1.265	0.000	1.321
O6	1.265	0.000	1.321

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4823	1.8697	1.8697	3.4551	3.4551
S2	2.4823		1.6384	1.6384	1.4620	1.4620
O3	1.8697	1.6384		2.4681	2.5301	2.5301
O4	1.8697	1.6384	2.4681		2.5301	2.5301
O5	3.4551	1.4620	2.5301	2.5301		2.5300
O6	3.4551	1.4620	2.5301	2.5301	2.5300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.828	Mg1	O4	S2	89.828
O3	Mg1	O4	82.603	O3	S2	O4	97.741
O3	S2	O5	109.253	O3	S2	O6	109.253
O4	S2	O5	109.253	O4	S2	O6	109.253
O5	S2	O6	119.827

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

using model chemistry: TPSSh/6-31G*

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	0.955
2	S	1.435
3	O	-0.693
4	O	-0.693
5	O	-0.502
6	O	-0.502

	x	y	z	Total
	0.000	0.000	-12.006	12.006
CHELPG
AIM
ESP

<r²>	153.817
(<r²>)^1/2	12.402

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

using model chemistry: TPSSh/6-31G*

States and conformations

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