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	hartrees
Energy at 0K	-897.413010
Energy at 298.15K
HF Energy	-896.522416
Nuclear repulsion energy	382.937973

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.912
S2	0.000	0.000	0.587
O3	0.000	1.211	-0.476
O4	0.000	-1.211	-0.476
O5	-1.253	0.000	1.322
O6	1.253	0.000	1.322

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4997	1.8790	1.8790	3.4689	3.4689
S2	2.4997		1.6114	1.6114	1.4526	1.4526
O3	1.8790	1.6114		2.4220	2.5039	2.5039
O4	1.8790	1.6114	2.4220		2.5039	2.5039
O5	3.4689	1.4526	2.5039	2.5039		2.5059
O6	3.4689	1.4526	2.5039	2.5039	2.5059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.150	Mg1	O4	S2	91.150
O3	Mg1	O4	80.255	O3	S2	O4	97.445
O3	S2	O5	109.500	O3	S2	O6	109.500
O4	S2	O5	109.500	O4	S2	O6	109.500
O5	S2	O6	119.206

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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