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	hartrees
Energy at 0K	-73.454061
Energy at 298.15K	-73.458016
HF Energy	-73.454061
Nuclear repulsion energy	110.399087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	920	826	535.37
2	?_a	920	826	239.39
3	A₁	1261	1133	360.96
4	A₁	799	718	115.07
5	A₁	620	557	12.39
6	A₁	420	378	80.50
7	A₂	411	369	0.00
8	B₁	1415	1270	383.50
9	B₁	617	554	80.00
10	B₁	116	104	48.87
11	B₂	703	631	8.06
12	B₂	499	448	0.11

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.900
S2	0.000	0.000	0.581
O3	0.000	1.179	-0.468
O4	0.000	-1.179	-0.468
O5	-1.237	0.000	1.313
O6	1.237	0.000	1.313

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4808	1.8553	1.8553	3.4429	3.4429
S2	2.4808		1.5780	1.5780	1.4373	1.4373
O3	1.8553	1.5780		2.3586	2.4681	2.4681
O4	1.8553	1.5780	2.3586		2.4681	2.4681
O5	3.4429	1.4373	2.4681	2.4681		2.4737
O6	3.4429	1.4373	2.4681	2.4681	2.4737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	92.174	Mg1	O4	S2	92.174
O3	Mg1	O4	78.932	O3	S2	O4	96.720
O3	S2	O5	109.786	O3	S2	O6	109.786
O4	S2	O5	109.786	O4	S2	O6	109.786
O5	S2	O6	118.746

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

using model chemistry: HF/CEP-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	1.107
2	S	1.067
3	O	-0.632
4	O	-0.632
5	O	-0.455
6	O	-0.455

	x	y	z	Total
	0.000	0.000	-14.545	14.545
CHELPG
AIM
ESP

<r²>	89.476
(<r²>)^1/2	9.459

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

using model chemistry: HF/CEP-31G*

States and conformations

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