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	hartrees
Energy at 0K	-899.014672
Energy at 298.15K	-899.017876
HF Energy	-899.014672
Nuclear repulsion energy	374.360987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1061	1061	209.65
2	A₁	697	697	148.02
3	A₁	666	666	111.78
4	A₁	515	515	19.02
5	A₁	349	349	39.33
6	A₂	302	302	0.00
7	B₁	1213	1213	188.89
8	B₁	464	464	22.19
9	B₁	98	98	36.79
10	B₂	691	691	258.61
11	B₂	536	536	60.10
12	B₂	415	415	0.90

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.597
O3	0.000	1.260	-0.511
O4	0.000	-1.260	-0.511
O5	-1.286	0.000	1.345
O6	1.286	0.000	1.345

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5055	1.8819	1.8819	3.4993	3.4993
S2	2.5055		1.6772	1.6772	1.4883	1.4883
O3	1.8819	1.6772		2.5193	2.5858	2.5858
O4	1.8819	1.6772	2.5193		2.5858	2.5858
O5	3.4993	1.4883	2.5858	2.5858		2.5726
O6	3.4993	1.4883	2.5858	2.5858	2.5726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.302	Mg1	O4	S2	89.302
O3	Mg1	O4	84.036	O3	S2	O4	97.360
O3	S2	O5	109.399	O3	S2	O6	109.399
O4	S2	O5	109.399	O4	S2	O6	109.399
O5	S2	O6	119.596

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

using model chemistry: B97D3/aug-cc-pVDZ

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	1.225
2	S	2.173
3	O	-0.950
4	O	-0.950
5	O	-0.749
6	O	-0.749

	x	y	z	Total
	0.000	0.000	-11.905	11.905
CHELPG
AIM
ESP

<r²>	158.597
(<r²>)^1/2	12.594

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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