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	hartrees
Energy at 0K	-899.215365
Energy at 298.15K	-899.219094
HF Energy	-899.215365
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1218	1165	267.86
2	A₁	825	789	252.81
3	A₁	748	715	81.93
4	A₁	584	559	14.39
5	A₁	395	378	64.37
6	A₂	381	364	0.00
7	B₁	1385	1325	290.48
8	B₁	562	538	40.20
9	B₁	101	97	43.26
10	B₂	814	779	418.19
11	B₂	635	608	0.26
12	B₂	465	445	0.00

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.881
S2	0.000	0.000	0.574
O3	0.000	1.198	-0.469
O4	0.000	-1.198	-0.469
O5	-1.238	0.000	1.306
O6	1.238	0.000	1.306

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4545	1.8514	1.8514	3.4182	3.4182
S2	2.4545		1.5889	1.5889	1.4379	1.4379
O3	1.8514	1.5889		2.3969	2.4737	2.4737
O4	1.8514	1.5889	2.3969		2.4737	2.4737
O5	3.4182	1.4379	2.4737	2.4737		2.4757
O6	3.4182	1.4379	2.4737	2.4737	2.4757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.702	Mg1	O4	S2	90.702
O3	Mg1	O4	80.679	O3	S2	O4	97.917
O3	S2	O5	109.520	O3	S2	O6	109.520
O4	S2	O5	109.520	O4	S2	O6	109.520
O5	S2	O6	118.820

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	Mg	1.036
2	S	2.292
3	O	-0.805
4	O	-0.805
5	O	-0.859
6	O	-0.859

	x	y	z	Total
	0.000	0.000	-13.259	13.259
CHELPG
AIM
ESP

<r²>	149.450
(<r²>)^1/2	12.225

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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