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	hartrees
Energy at 0K	-894.073979
Energy at 298.15K	-894.076665
HF Energy	-894.073979
Nuclear repulsion energy	355.492369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	961	944	97.25
2	A₁	666	655	45.60
3	A₁	574	564	145.86
4	A₁	443	435	19.00
5	A₁	321	316	21.48
6	A₂	249	245	0.00
7	B₁	1105	1086	42.30
8	B₁	372	366	22.39
9	B₁	112	110	30.22
10	B₂	640	629	62.27
11	B₂	444	436	84.39
12	B₂	333	327	3.41

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.955
S2	0.000	0.000	0.635
O3	0.000	1.319	-0.590
O4	0.000	-1.319	-0.590
O5	-1.375	0.000	1.421
O6	1.375	0.000	1.421

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5903	1.8981	1.8981	3.6449	3.6449
S2	2.5903		1.8005	1.8005	1.5833	1.5833
O3	1.8981	1.8005		2.6381	2.7700	2.7700
O4	1.8981	1.8005	2.6381		2.7700	2.7700
O5	3.6449	1.5833	2.7700	2.7700		2.7496
O6	3.6449	1.5833	2.7700	2.7700	2.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	88.872	Mg1	O4	S2	88.872
O3	Mg1	O4	88.043	O3	S2	O4	94.213
O3	S2	O5	109.731	O3	S2	O6	109.731
O4	S2	O5	109.731	O4	S2	O6	109.731
O5	S2	O6	120.528

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	0.877
2	S	1.331
3	O	-0.593
4	O	-0.593
5	O	-0.511
6	O	-0.511

	x	y	z	Total
	0.000	0.000	-9.914	9.914
CHELPG
AIM
ESP

<r²>	173.343
(<r²>)^1/2	13.166

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)