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	hartrees
Energy at 0K	-898.546843
Energy at 298.15K	-898.550099
HF Energy	-898.546843
Nuclear repulsion energy	376.832312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1101	1088	222.62
2	A₁	708	700	195.03
3	A₁	686	679	75.20
4	A₁	529	523	13.14
5	A₁	358	354	38.84
6	A₂	309	305	0.00
7	B₁	1262	1248	198.59
8	B₁	476	470	22.96
9	B₁	97	96	35.23
10	B₂	695	687	262.74
11	B₂	550	544	55.54
12	B₂	423	418	1.54

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.593
O3	0.000	1.251	-0.497
O4	0.000	-1.251	-0.497
O5	-1.275	0.000	1.335
O6	1.275	0.000	1.335

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5017	1.8864	1.8864	3.4857	3.4857
S2	2.5017		1.6595	1.6595	1.4753	1.4753
O3	1.8864	1.6595		2.5025	2.5591	2.5591
O4	1.8864	1.6595	2.5025		2.5591	2.5591
O5	3.4857	1.4753	2.5591	2.5591		2.5497
O6	3.4857	1.4753	2.5591	2.5591	2.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.508	Mg1	O4	S2	89.508
O3	Mg1	O4	83.107	O3	S2	O4	97.876
O3	S2	O5	109.304	O3	S2	O6	109.304
O4	S2	O5	109.304	O4	S2	O6	109.304
O5	S2	O6	119.569

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

using model chemistry: PBEPBEultrafine/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	0.844
2	S	1.472
3	O	-0.633
4	O	-0.633
5	O	-0.525
6	O	-0.525

	x	y	z	Total
	0.000	0.000	-11.891	11.891
CHELPG
AIM
ESP

<r²>	157.294
(<r²>)^1/2	12.542

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

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

States and conformations

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