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	hartrees
Energy at 0K	-897.252411
Energy at 298.15K	-897.256271
HF Energy	-896.516234
Nuclear repulsion energy	386.840437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1253	1160	312.61
2	A₁	877	812	255.92
3	A₁	789	730	101.50
4	A₁	616	570	9.09
5	A₁	412	382	67.39
6	A₂	389	360	0.00
7	B₁	1427	1321	313.81
8	B₁	591	547	62.86
9	B₁	116	107	46.34
10	B₂	875	810	447.44
11	B₂	674	624	0.91
12	B₂	485	449	0.86

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.898
S2	0.000	0.000	0.582
O3	0.000	1.195	-0.468
O4	0.000	-1.195	-0.468
O5	-1.242	0.000	1.310
O6	1.242	0.000	1.310

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4800	1.8634	1.8634	3.4399	3.4399
S2	2.4800		1.5907	1.5907	1.4393	1.4393
O3	1.8634	1.5907		2.3896	2.4761	2.4761
O4	1.8634	1.5907	2.3896		2.4761	2.4761
O5	3.4399	1.4393	2.4761	2.4761		2.4831
O6	3.4399	1.4393	2.4761	2.4761	2.4831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.429	Mg1	O4	S2	91.429
O3	Mg1	O4	79.766	O3	S2	O4	97.377
O3	S2	O5	109.507	O3	S2	O6	109.507
O4	S2	O5	109.507	O4	S2	O6	109.507
O5	S2	O6	119.226

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

using model chemistry: CISD/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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All results from a given calculation for MgSO4 (Magnesium Sulfate)

using model chemistry: CISD/6-31G*

States and conformations

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