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	hartrees
Energy at 0K	-898.312923
Energy at 298.15K	-898.315643
HF Energy	-898.312923
Nuclear repulsion energy	353.486218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	909	869	140.14
2	A₁	672	643	109.72
3	A₁	627	600	110.42
4	A₁	442	422	12.75
5	A₁	298	285	34.50
6	A₂	242	231	0.00
7	B₁	1017	973	80.53
8	B₁	390	373	51.88
9	B₁	106	102	40.92
10	B₂	641	613	146.62
11	B₂	538	514	56.38
12	B₂	325	311	1.94

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.986
S2	0.000	0.000	0.643
O3	0.000	1.296	-0.591
O4	0.000	-1.296	-0.591
O5	-1.395	0.000	1.437
O6	1.395	0.000	1.437

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6287	1.9039	1.9039	3.6967	3.6967
S2	2.6287		1.7893	1.7893	1.6055	1.6055
O3	1.9039	1.7893		2.5918	2.7821	2.7821
O4	1.9039	1.7893	2.5918		2.7821	2.7821
O5	3.6967	1.6055	2.7821	2.7821		2.7901
O6	3.6967	1.6055	2.7821	2.7821	2.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.700	Mg1	O4	S2	90.700
O3	Mg1	O4	85.789	O3	S2	O4	92.811
O3	S2	O5	109.956	O3	S2	O6	109.956
O4	S2	O5	109.956	O4	S2	O6	109.956
O5	S2	O6	120.667

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	1.196
2	S	1.392
3	O	-0.756
4	O	-0.756
5	O	-0.538
6	O	-0.538

	x	y	z	Total
	0.000	0.000	-12.339	12.339
CHELPG
AIM
ESP

<r²>	175.804
(<r²>)^1/2	13.259

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)