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	hartrees
Energy at 0K	-894.360044
Energy at 298.15K	-894.363671
HF Energy	-894.360044
Nuclear repulsion energy	383.031897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1196	1148	242.66
2	A₁	785	753	287.07
3	A₁	767	736	13.35
4	A₁	574	550	4.64
5	A₁	389	373	41.92
6	A₂	358	343	0.00
7	B₁	1389	1332	174.53
8	B₁	524	503	38.99
9	B₁	111	106	39.70
10	B₂	779	747	294.83
11	B₂	635	610	19.96
12	B₂	458	439	4.65

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.881
S2	0.000	0.000	0.586
O3	0.000	1.221	-0.489
O4	0.000	-1.221	-0.489
O5	-1.261	0.000	1.314
O6	1.261	0.000	1.314

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4679	1.8518	1.8518	3.4352	3.4352
S2	2.4679		1.6276	1.6276	1.4557	1.4557
O3	1.8518	1.6276		2.4424	2.5167	2.5167
O4	1.8518	1.6276	2.4424		2.5167	2.5167
O5	3.4352	1.4557	2.5167	2.5167		2.5218
O6	3.4352	1.4557	2.5167	2.5167	2.5218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.119	Mg1	O4	S2	90.119
O3	Mg1	O4	82.522	O3	S2	O4	97.239
O3	S2	O5	109.291	O3	S2	O6	109.291
O4	S2	O5	109.291	O4	S2	O6	109.291
O5	S2	O6	120.031

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

using model chemistry: B3PW91/3-21G*

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	0.740
2	S	1.286
3	O	-0.557
4	O	-0.557
5	O	-0.455
6	O	-0.455

	x	y	z	Total
	0.000	0.000	-11.647	11.647
CHELPG
AIM
ESP

<r²>	152.238
(<r²>)^1/2	12.338

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

using model chemistry: B3PW91/3-21G*

States and conformations

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