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	hartrees
Energy at 0K	-899.181648
Energy at 298.15K	-899.185459
HF Energy	-899.181648
Nuclear repulsion energy	388.751420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1230	1174	280.30
2	A₁	859	820	236.19
3	A₁	787	752	91.69
4	A₁	597	570	7.37
5	A₁	403	385	60.07
6	A₂	385	367	0.00
7	B₁	1391	1329	268.97
8	B₁	571	545	46.50
9	B₁	96	92	42.05
10	B₂	846	808	418.07
11	B₂	672	642	0.00
12	B₂	483	461	0.64

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.870
S2	0.000	0.000	0.573
O3	0.000	1.197	-0.472
O4	0.000	-1.197	-0.472
O5	-1.239	0.000	1.302
O6	1.239	0.000	1.302

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4431	1.8399	1.8399	3.4053	3.4053
S2	2.4431		1.5891	1.5891	1.4373	1.4373
O3	1.8399	1.5891		2.3934	2.4729	2.4729
O4	1.8399	1.5891	2.3934		2.4729	2.4729
O5	3.4053	1.4373	2.4729	2.4729		2.4775
O6	3.4053	1.4373	2.4729	2.4729	2.4775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.571	Mg1	O4	S2	90.571
O3	Mg1	O4	81.144	O3	S2	O4	97.715
O3	S2	O5	109.490	O3	S2	O6	109.490
O4	S2	O5	109.490	O4	S2	O6	109.490
O5	S2	O6	119.056

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

using model chemistry: M06-2X/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	0.810
2	S	1.081
3	O	-0.471
4	O	-0.471
5	O	-0.475
6	O	-0.475

	x	y	z	Total
	0.000	0.000	-12.968	12.968
CHELPG
AIM
ESP

<r²>	148.827
(<r²>)^1/2	12.199

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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