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	hartrees
Energy at 0K	-897.910543
Energy at 298.15K	-897.914321
HF Energy	-896.735105
Nuclear repulsion energy	387.212111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1204	1159	268.93
2	A₁	839	807	260.55
3	A₁	766	737	65.70
4	A₁	593	570	9.57
5	A₁	400	385	60.73
6	A₂	381	367	0.00
7	B₁	1366	1314	269.32
8	B₁	563	542	40.33
9	B₁	106	102	42.46
10	B₂	823	792	409.97
11	B₂	660	635	0.15
12	B₂	473	456	0.08

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.890
S2	0.000	0.000	0.576
O3	0.000	1.199	-0.466
O4	0.000	-1.199	-0.466
O5	-1.241	0.000	1.309
O6	1.241	0.000	1.309

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4659	1.8614	1.8614	3.4312	3.4312
S2	2.4659		1.5882	1.5882	1.4410	1.4410
O3	1.8614	1.5882		2.3974	2.4752	2.4752
O4	1.8614	1.5882	2.3974		2.4752	2.4752
O5	3.4312	1.4410	2.4752	2.4752		2.4811
O6	3.4312	1.4410	2.4752	2.4752	2.4811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.907	Mg1	O4	S2	90.907
O3	Mg1	O4	80.178	O3	S2	O4	98.007
O3	S2	O5	109.497	O3	S2	O6	109.497
O4	S2	O5	109.497	O4	S2	O6	109.497
O5	S2	O6	118.836

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

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

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