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	hartrees
Energy at 0K	-893.641408
Energy at 298.15K	-893.644100
HF Energy	-893.641408
Nuclear repulsion energy	355.610652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	962	954	94.60
2	A₁	677	671	38.21
3	A₁	582	577	150.67
4	A₁	443	439	13.57
5	A₁	321	318	20.04
6	A₂	242	240	0.00
7	B₁	1107	1096	37.55
8	B₁	365	362	18.98
9	B₁	112	111	27.95
10	B₂	649	643	54.20
11	B₂	455	451	78.00
12	B₂	329	326	4.61

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.946
S2	0.000	0.000	0.633
O3	0.000	1.323	-0.592
O4	0.000	-1.323	-0.592
O5	-1.376	0.000	1.419
O6	1.376	0.000	1.419

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5786	1.8928	1.8928	3.6355	3.6355
S2	2.5786		1.8027	1.8027	1.5850	1.5850
O3	1.8928	1.8027		2.6455	2.7728	2.7728
O4	1.8928	1.8027	2.6455		2.7728	2.7728
O5	3.6355	1.5850	2.7728	2.7728		2.7523
O6	3.6355	1.5850	2.7728	2.7728	2.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	88.461	Mg1	O4	S2	88.461
O3	Mg1	O4	88.669	O3	S2	O4	94.408
O3	S2	O5	109.699	O3	S2	O6	109.699
O4	S2	O5	109.699	O4	S2	O6	109.699
O5	S2	O6	120.507

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

using model chemistry: PBEPBE/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	0.817
2	S	1.271
3	O	-0.557
4	O	-0.557
5	O	-0.487
6	O	-0.487

	x	y	z	Total
	0.000	0.000	-9.436	9.436
CHELPG
AIM
ESP

<r²>	173.286
(<r²>)^1/2	13.164

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

using model chemistry: PBEPBE/3-21G

States and conformations

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