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	hartrees
Energy at 0K	-894.201138
Energy at 298.15K	-894.203691
HF Energy	-894.201138
Nuclear repulsion energy	352.709033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	925	919	81.67
2	A₁	671	667	32.39
3	A₁	547	544	138.19
4	A₁	427	425	20.57
5	A₁	314	312	16.09
6	A₂	235	234	0.00
7	B₁	1061	1055	32.49
8	B₁	351	349	18.30
9	B₁	114	113	25.78
10	B₂	648	645	40.05
11	B₂	411	409	80.56
12	B₂	318	316	2.98

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.950
S2	0.000	0.000	0.642
O3	0.000	1.337	-0.610
O4	0.000	-1.337	-0.610
O5	-1.386	0.000	1.431
O6	1.386	0.000	1.431

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5920	1.8936	1.8936	3.6542	3.6542
S2	2.5920		1.8316	1.8316	1.5950	1.5950
O3	1.8936	1.8316		2.6749	2.8061	2.8061
O4	1.8936	1.8316	2.6749		2.8061	2.8061
O5	3.6542	1.5950	2.8061	2.8061		2.7721
O6	3.6542	1.5950	2.8061	2.8061	2.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	88.163	Mg1	O4	S2	88.163
O3	Mg1	O4	89.868	O3	S2	O4	93.806
O3	S2	O5	109.759	O3	S2	O6	109.759
O4	S2	O5	109.759	O4	S2	O6	109.759
O5	S2	O6	120.686

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

using model chemistry: BLYP/3-21G

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	0.774
2	S	1.244
3	O	-0.535
4	O	-0.535
5	O	-0.474
6	O	-0.474

	x	y	z	Total
	0.000	0.000	-8.874	8.874
CHELPG
AIM
ESP

<r²>	175.807
(<r²>)^1/2	13.259

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

using model chemistry: BLYP/3-21G

States and conformations

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