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	hartrees
Energy at 0K	-899.082563
Energy at 298.15K	-899.086227
HF Energy	-899.082563
Nuclear repulsion energy	383.756805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1189	1125	290.21
2	A₁	833	788	257.80
3	A₁	741	701	70.48
4	A₁	571	540	8.12
5	A₁	380	360	63.52
6	A₂	366	346	0.00
7	B₁	1356	1283	318.65
8	B₁	556	526	63.94
9	B₁	105	99	46.92
10	B₂	800	757	432.75
11	B₂	634	600	1.13
12	B₂	452	428	0.05

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.907
S2	0.000	0.000	0.592
O3	0.000	1.199	-0.480
O4	0.000	-1.199	-0.480
O5	-1.257	0.000	1.319
O6	1.257	0.000	1.319

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4992	1.8640	1.8640	3.4624	3.4624
S2	2.4992		1.6088	1.6088	1.4520	1.4520
O3	1.8640	1.6088		2.3988	2.5012	2.5012
O4	1.8640	1.6088	2.3988		2.5012	2.5012
O5	3.4624	1.4520	2.5012	2.5012		2.5138
O6	3.4624	1.4520	2.5012	2.5012	2.5138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.747	Mg1	O4	S2	91.747
O3	Mg1	O4	80.099	O3	S2	O4	96.406
O3	S2	O5	109.496	O3	S2	O6	109.496
O4	S2	O5	109.496	O4	S2	O6	109.496
O5	S2	O6	119.903

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

using model chemistry: M06-2X/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	1.477
2	S	0.891
3	O	-0.778
4	O	-0.778
5	O	-0.406
6	O	-0.406

	x	y	z	Total
	0.000	0.000	-13.636	13.636
CHELPG
AIM
ESP

<r²>	153.023
(<r²>)^1/2	12.370

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

using model chemistry: M06-2X/TZVP

States and conformations

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