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	hartrees
Energy at 0K	-898.560522
Energy at 298.15K	-898.563704
HF Energy	-898.560522
Nuclear repulsion energy	373.727714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1091	1085	191.70
2	A₁	705	701	105.54
3	A₁	673	669	132.93
4	A₁	514	511	9.93
5	A₁	350	348	33.06
6	A₂	294	292	0.00
7	B₁	1258	1251	140.91
8	B₁	454	452	18.72
9	B₁	97	96	32.95
10	B₂	689	685	177.69
11	B₂	531	528	75.02
12	B₂	414	412	4.95

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.908
S2	0.000	0.000	0.602
O3	0.000	1.266	-0.512
O4	0.000	-1.266	-0.512
O5	-1.290	0.000	1.341
O6	1.290	0.000	1.341

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5099	1.8850	1.8850	3.4953	3.4953
S2	2.5099		1.6864	1.6864	1.4868	1.4868
O3	1.8850	1.6864		2.5327	2.5883	2.5883
O4	1.8850	1.6864	2.5327		2.5883	2.5883
O5	3.4953	1.4868	2.5883	2.5883		2.5808
O6	3.4953	1.4868	2.5883	2.5883	2.5808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.120	Mg1	O4	S2	89.120
O3	Mg1	O4	84.416	O3	S2	O4	97.344
O3	S2	O5	109.149	O3	S2	O6	109.149
O4	S2	O5	109.149	O4	S2	O6	109.149
O5	S2	O6	120.430

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.739
2	S	0.997
3	O	-0.494
4	O	-0.494
5	O	-0.374
6	O	-0.374

	x	y	z	Total
	0.000	0.000	-10.706	10.706
CHELPG
AIM
ESP

<r²>	158.629
(<r²>)^1/2	12.595

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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