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	hartrees
Energy at 0K	-898.627757
Energy at 298.15K	-898.631344
HF Energy	-898.627757
Nuclear repulsion energy	383.258602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1175	1121	269.52
2	A₁	786	750	274.22
3	A₁	745	711	43.05
4	A₁	571	545	10.01
5	A₁	384	366	51.89
6	A₂	352	336	0.00
7	B₁	1339	1279	268.54
8	B₁	532	508	40.00
9	B₁	103	99	40.50
10	B₂	776	741	388.13
11	B₂	622	594	6.61
12	B₂	454	433	0.73

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.897
S2	0.000	0.000	0.584
O3	0.000	1.216	-0.480
O4	0.000	-1.216	-0.480
O5	-1.254	0.000	1.319
O6	1.254	0.000	1.319

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4807	1.8670	1.8670	3.4513	3.4513
S2	2.4807		1.6163	1.6163	1.4537	1.4537
O3	1.8670	1.6163		2.4329	2.5079	2.5079
O4	1.8670	1.6163	2.4329		2.5079	2.5079
O5	3.4513	1.4537	2.5079	2.5079		2.5087
O6	3.4513	1.4537	2.5079	2.5079	2.5087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.527	Mg1	O4	S2	90.527
O3	Mg1	O4	81.317	O3	S2	O4	97.629
O3	S2	O5	109.439	O3	S2	O6	109.439
O4	S2	O5	109.439	O4	S2	O6	109.439
O5	S2	O6	119.286

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.929
2	S	1.743
3	O	-0.731
4	O	-0.731
5	O	-0.605
6	O	-0.605

	x	y	z	Total
	0.000	0.000	-12.872	12.872
CHELPG
AIM
ESP

<r²>	152.935
(<r²>)^1/2	12.367

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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