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	hartrees
Energy at 0K	-899.067898
Energy at 298.15K	-899.071135
HF Energy	-899.067898
Nuclear repulsion energy	375.880654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1090	1074	207.76
2	A₁	696	686	255.16
3	A₁	661	652	7.81
4	A₁	521	514	14.89
5	A₁	352	347	43.36
6	A₂	316	312	0.00
7	B₁	1254	1236	219.08
8	B₁	484	478	32.52
9	B₁	101	99	41.94
10	B₂	670	660	273.38
11	B₂	535	527	51.80
12	B₂	419	413	0.28

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.929
S2	0.000	0.000	0.602
O3	0.000	1.245	-0.497
O4	0.000	-1.245	-0.497
O5	-1.276	0.000	1.341
O6	1.276	0.000	1.341

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5311	1.8972	1.8972	3.5098	3.5098
S2	2.5311		1.6611	1.6611	1.4741	1.4741
O3	1.8972	1.6611		2.4900	2.5606	2.5606
O4	1.8972	1.6611	2.4900		2.5606	2.5606
O5	3.5098	1.4741	2.5606	2.5606		2.5514
O6	3.5098	1.4741	2.5606	2.5606	2.5514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.437	Mg1	O4	S2	90.437
O3	Mg1	O4	82.027	O3	S2	O4	97.099
O3	S2	O5	109.373	O3	S2	O6	109.373
O4	S2	O5	109.373	O4	S2	O6	109.373
O5	S2	O6	119.854

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

using model chemistry: B97D3/TZVP

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	1.364
2	S	0.686
3	O	-0.695
4	O	-0.695
5	O	-0.330
6	O	-0.330

	x	y	z	Total
	0.000	0.000	-12.577	12.577
CHELPG
AIM
ESP

<r²>	157.983
(<r²>)^1/2	12.569

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

using model chemistry: B97D3/TZVP

States and conformations

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