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	hartrees
Energy at 0K	-898.613062
Energy at 298.15K	-898.616663
HF Energy	-898.613062
Nuclear repulsion energy	383.723483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1190	1135	252.56
2	A₁	793	757	257.71
3	A₁	748	714	45.96
4	A₁	576	550	8.79
5	A₁	388	370	48.72
6	A₂	349	333	0.00
7	B₁	1366	1303	224.17
8	B₁	534	510	38.09
9	B₁	105	100	40.47
10	B₂	785	749	350.76
11	B₂	622	594	7.45
12	B₂	454	433	1.96

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.888
S2	0.000	0.000	0.583
O3	0.000	1.219	-0.480
O4	0.000	-1.219	-0.480
O5	-1.255	0.000	1.313
O6	1.255	0.000	1.313

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4711	1.8620	1.8620	3.4383	3.4383
S2	2.4711		1.6176	1.6176	1.4521	1.4521
O3	1.8620	1.6176		2.4378	2.5055	2.5055
O4	1.8620	1.6176	2.4378		2.5055	2.5055
O5	3.4383	1.4521	2.5055	2.5055		2.5106
O6	3.4383	1.4521	2.5055	2.5055	2.5106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.215	Mg1	O4	S2	90.215
O3	Mg1	O4	81.781	O3	S2	O4	97.789
O3	S2	O5	109.297	O3	S2	O6	109.297
O4	S2	O5	109.297	O4	S2	O6	109.297
O5	S2	O6	119.649

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

using model chemistry: HSEh1PBE/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	0.992
2	S	1.449
3	O	-0.710
4	O	-0.710
5	O	-0.511
6	O	-0.511

	x	y	z	Total
	0.000	0.000	-12.383	12.383
CHELPG
AIM
ESP

<r²>	151.903
(<r²>)^1/2	12.325

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

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

States and conformations

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