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	hartrees
Energy at 0K	-887.812486
Energy at 298.15K	-887.814949
HF Energy	-887.812486
Nuclear repulsion energy	359.729537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	904	904	109.26
2	A₁	895	895	54.27
3	A₁	674	674	35.06
4	A₁	458	458	9.40
5	A₁	235	235	20.00
6	A₂	241	241	0.00
7	B₁	1019	1019	40.83
8	B₁	362	362	47.06
9	B₁	94	94	21.51
10	B₂	890	890	33.54
11	B₂	646	646	39.97
12	B₂	285	285	7.90

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.841
S2	0.000	0.000	0.615
O3	0.000	1.304	-0.626
O4	0.000	-1.304	-0.626
O5	-1.417	0.000	1.392
O6	1.417	0.000	1.392

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4566	1.7827	1.7827	3.5299	3.5299
S2	2.4566		1.8003	1.8003	1.6157	1.6157
O3	1.7827	1.8003		2.6083	2.7891	2.7891
O4	1.7827	1.8003	2.6083		2.7891	2.7891
O5	3.5299	1.6157	2.7891	2.7891		2.8340
O6	3.5299	1.6157	2.7891	2.7891	2.8340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	86.567	Mg1	O4	S2	86.567
O3	Mg1	O4	94.031	O3	S2	O4	92.835
O3	S2	O5	109.345	O3	S2	O6	109.345
O4	S2	O5	109.345	O4	S2	O6	109.345
O5	S2	O6	122.564

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

using model chemistry: M06-2X/STO-3G

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	0.851
2	S	0.814
3	O	-0.430
4	O	-0.430
5	O	-0.402
6	O	-0.402

	x	y	z	Total
	0.000	0.000	-9.294	9.294
CHELPG
AIM
ESP

<r²>	165.087
(<r²>)^1/2	12.849

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

using model chemistry: M06-2X/STO-3G

States and conformations

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