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	hartrees
Energy at 0K	-899.201119
Energy at 298.15K	-899.204678
HF Energy	-899.201119
Nuclear repulsion energy	386.228040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1184	1143	217.17
2	A₁	774	747	277.64
3	A₁	749	723	4.26
4	A₁	568	548	8.03
5	A₁	383	369	44.40
6	A₂	350	338	0.00
7	B₁	1360	1312	181.32
8	B₁	524	506	25.45
9	B₁	92	89	36.31
10	B₂	765	738	318.22
11	B₂	618	596	26.97
12	B₂	458	442	1.81

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.871
S2	0.000	0.000	0.578
O3	0.000	1.217	-0.476
O4	0.000	-1.217	-0.476
O5	-1.246	0.000	1.302
O6	1.246	0.000	1.302

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4496	1.8516	1.8516	3.4090	3.4090
S2	2.4496		1.6107	1.6107	1.4406	1.4406
O3	1.8516	1.6107		2.4349	2.4892	2.4892
O4	1.8516	1.6107	2.4349		2.4892	2.4892
O5	3.4090	1.4406	2.4892	2.4892		2.4911
O6	3.4090	1.4406	2.4892	2.4892	2.4911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.786	Mg1	O4	S2	89.786
O3	Mg1	O4	82.223	O3	S2	O4	98.204
O3	S2	O5	109.205	O3	S2	O6	109.205
O4	S2	O5	109.205	O4	S2	O6	109.205
O5	S2	O6	119.679

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

using model chemistry: TPSSh/6-31G(2df,p)

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	0.923
2	S	0.658
3	O	-0.478
4	O	-0.478
5	O	-0.313
6	O	-0.313

	x	y	z	Total
	0.000	0.000	-11.705	11.705
CHELPG
AIM
ESP

<r²>	149.834
(<r²>)^1/2	12.241

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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