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	hartrees
Energy at 0K	-898.736551
Energy at 298.15K	-898.740106
HF Energy	-898.736551
Nuclear repulsion energy	382.009038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1164	1118	256.13
2	A₁	785	754	268.85
3	A₁	722	693	34.70
4	A₁	559	536	8.14
5	A₁	373	358	53.34
6	A₂	350	336	0.00
7	B₁	1333	1280	283.75
8	B₁	532	511	50.29
9	B₁	106	102	44.67
10	B₂	756	726	386.06
11	B₂	611	586	2.90
12	B₂	444	426	0.11

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.911
S2	0.000	0.000	0.592
O3	0.000	1.212	-0.483
O4	0.000	-1.212	-0.483
O5	-1.260	0.000	1.324
O6	1.260	0.000	1.324

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5028	1.8721	1.8721	3.4714	3.4714
S2	2.5028		1.6203	1.6203	1.4570	1.4570
O3	1.8721	1.6203		2.4234	2.5146	2.5146
O4	1.8721	1.6203	2.4234		2.5146	2.5146
O5	3.4714	1.4570	2.5146	2.5146		2.5196
O6	3.4714	1.4570	2.5146	2.5146	2.5196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.264	Mg1	O4	S2	91.264
O3	Mg1	O4	80.668	O3	S2	O4	96.804
O3	S2	O5	109.482	O3	S2	O6	109.482
O4	S2	O5	109.482	O4	S2	O6	109.482
O5	S2	O6	119.688

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

using model chemistry: HSEh1PBE/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	1.428
2	S	0.752
3	O	-0.729
4	O	-0.729
5	O	-0.361
6	O	-0.361

	x	y	z	Total
	0.000	0.000	-13.227	13.227
CHELPG
AIM
ESP

<r²>	153.989
(<r²>)^1/2	12.409

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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