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	hartrees
Energy at 0K	-894.028577
Energy at 298.15K	-894.031634
HF Energy	-894.028577
Nuclear repulsion energy	361.483792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1007	968	128.78
2	A₁	712	684	84.63
3	A₁	658	633	132.28
4	A₁	484	465	7.77
5	A₁	340	327	31.29
6	A₂	278	268	0.00
7	B₁	1148	1104	59.06
8	B₁	418	402	41.71
9	B₁	117	113	36.04
10	B₂	678	651	136.58
11	B₂	567	545	55.77
12	B₂	357	343	5.55

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.946
S2	0.000	0.000	0.624
O3	0.000	1.274	-0.568
O4	0.000	-1.274	-0.568
O5	-1.361	0.000	1.404
O6	1.361	0.000	1.404

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5693	1.8760	1.8760	3.6151	3.6151
S2	2.5693		1.7448	1.7448	1.5684	1.5684
O3	1.8760	1.7448		2.5479	2.7136	2.7136
O4	1.8760	1.7448	2.5479		2.7136	2.7136
O5	3.6151	1.5684	2.7136	2.7136		2.7215
O6	3.6151	1.5684	2.7136	2.7136	2.7215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.331	Mg1	O4	S2	90.331
O3	Mg1	O4	85.542	O3	S2	O4	93.796
O3	S2	O5	109.864	O3	S2	O6	109.864
O4	S2	O5	109.864	O4	S2	O6	109.864
O5	S2	O6	120.360

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	0.973
2	S	1.463
3	O	-0.660
4	O	-0.660
5	O	-0.558
6	O	-0.558

	x	y	z	Total
	0.000	0.000	-11.227	11.227
CHELPG
AIM
ESP

<r²>	168.699
(<r²>)^1/2	12.988

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)