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	hartrees
Energy at 0K	-893.630192
Energy at 298.15K	-893.633170
HF Energy	-893.408166
Nuclear repulsion energy	359.634707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	997	997	117.03
2	A₁	709	709	71.43
3	A₁	623	623	173.18
4	A₁	472	472	18.82
5	A₁	339	339	28.25
6	A₂	275	275	0.00
7	B₁	1142	1142	59.29
8	B₁	411	411	41.12
9	B₁	120	120	34.10
10	B₂	673	673	91.54
11	B₂	525	525	92.94
12	B₂	350	350	5.43

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.944
S2	0.000	0.000	0.629
O3	0.000	1.287	-0.578
O4	0.000	-1.287	-0.578
O5	-1.368	0.000	1.408
O6	1.368	0.000	1.408

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5731	1.8769	1.8769	3.6203	3.6203
S2	2.5731		1.7644	1.7644	1.5740	1.5740
O3	1.8769	1.7644		2.5740	2.7332	2.7332
O4	1.8769	1.7644	2.5740		2.7332	2.7332
O5	3.6203	1.5740	2.7332	2.7332		2.7355
O6	3.6203	1.5740	2.7332	2.7332	2.7355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.872	Mg1	O4	S2	89.872
O3	Mg1	O4	86.579	O3	S2	O4	93.678
O3	S2	O5	109.785	O3	S2	O6	109.785
O4	S2	O5	109.785	O4	S2	O6	109.785
O5	S2	O6	120.682

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

using model chemistry: B2PLYP/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	0.918
2	S	1.454
3	O	-0.641
4	O	-0.641
5	O	-0.545
6	O	-0.545

	x	y	z	Total
	0.000	0.000	-10.615	10.615
CHELPG
AIM
ESP

<r²>	170.331
(<r²>)^1/2	13.051

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

using model chemistry: B2PLYP/3-21G

States and conformations

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