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	hartrees
Energy at 0K	-898.934299
Energy at 298.15K	-898.937578
HF Energy	-898.934299
Nuclear repulsion energy	377.882124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1114	1093	210.65
2	A₁	712	698	219.80
3	A₁	692	678	47.12
4	A₁	538	527	14.41
5	A₁	366	359	38.57
6	A₂	314	308	0.00
7	B₁	1288	1262	161.63
8	B₁	486	477	22.18
9	B₁	99	97	36.55
10	B₂	705	691	245.50
11	B₂	547	536	51.25
12	B₂	426	417	3.21

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.903
S2	0.000	0.000	0.593
O3	0.000	1.250	-0.495
O4	0.000	-1.250	-0.495
O5	-1.272	0.000	1.329
O6	1.272	0.000	1.329

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4966	1.8832	1.8832	3.4733	3.4733
S2	2.4966		1.6568	1.6568	1.4690	1.4690
O3	1.8832	1.6568		2.4993	2.5501	2.5501
O4	1.8832	1.6568	2.4993		2.5501	2.5501
O5	3.4733	1.4690	2.5501	2.5501		2.5431
O6	3.4733	1.4690	2.5501	2.5501	2.5431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.464	Mg1	O4	S2	89.464
O3	Mg1	O4	83.148	O3	S2	O4	97.924
O3	S2	O5	109.194	O3	S2	O6	109.194
O4	S2	O5	109.194	O4	S2	O6	109.194
O5	S2	O6	119.903

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

using model chemistry: B97D3/6-31G*

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	0.923
2	S	1.352
3	O	-0.667
4	O	-0.667
5	O	-0.470
6	O	-0.470

	x	y	z	Total
	0.000	0.000	-11.606	11.606
CHELPG
AIM
ESP

<r²>	155.684
(<r²>)^1/2	12.477

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

using model chemistry: B97D3/6-31G*

States and conformations

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