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	hartrees
Energy at 0K	-898.528602
Energy at 298.15K	-898.531863
HF Energy	-898.528602
Nuclear repulsion energy	377.469118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1117	1101	200.61
2	A₁	714	704	198.24
3	A₁	697	687	55.80
4	A₁	534	527	10.66
5	A₁	363	358	35.27
6	A₂	301	297	0.00
7	B₁	1289	1271	147.76
8	B₁	476	469	18.96
9	B₁	96	94	33.56
10	B₂	704	695	221.21
11	B₂	552	544	49.33
12	B₂	420	415	3.81

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.897
S2	0.000	0.000	0.591
O3	0.000	1.255	-0.497
O4	0.000	-1.255	-0.497
O5	-1.275	0.000	1.328
O6	1.275	0.000	1.328

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4885	1.8804	1.8804	3.4686	3.4686
S2	2.4885		1.6606	1.6606	1.4731	1.4731
O3	1.8804	1.6606		2.5094	2.5557	2.5557
O4	1.8804	1.6606	2.5094		2.5557	2.5557
O5	3.4686	1.4731	2.5557	2.5557		2.5510
O6	3.4686	1.4731	2.5557	2.5557	2.5510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.073	Mg1	O4	S2	89.073
O3	Mg1	O4	83.708	O3	S2	O4	98.147
O3	S2	O5	109.133	O3	S2	O6	109.133
O4	S2	O5	109.133	O4	S2	O6	109.133
O5	S2	O6	119.958

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

using model chemistry: PBEPBE/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	0.861
2	S	1.308
3	O	-0.632
4	O	-0.632
5	O	-0.453
6	O	-0.453

	x	y	z	Total
	0.000	0.000	-11.209	11.209
CHELPG
AIM
ESP

<r²>	155.983
(<r²>)^1/2	12.489

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

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

States and conformations

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