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	hartrees
Energy at 0K	-899.145587
Energy at 298.15K	-899.149030
HF Energy	-899.145587
Nuclear repulsion energy	380.215169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1136	1093	251.83
2	A₁	745	717	299.20
3	A₁	725	698	0.03
4	A₁	550	529	11.30
5	A₁	370	357	46.37
6	A₂	332	320	0.00
7	B₁	1299	1250	241.41
8	B₁	504	485	34.39
9	B₁	102	98	39.31
10	B₂	738	711	341.52
11	B₂	595	572	26.61
12	B₂	439	422	0.75

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.903
S2	0.000	0.000	0.589
O3	0.000	1.231	-0.489
O4	0.000	-1.231	-0.489
O5	-1.264	0.000	1.327
O6	1.264	0.000	1.327

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4923	1.8748	1.8748	3.4686	3.4686
S2	2.4923		1.6368	1.6368	1.4636	1.4636
O3	1.8748	1.6368		2.4625	2.5323	2.5323
O4	1.8748	1.6368	2.4625		2.5323	2.5323
O5	3.4686	1.4636	2.5323	2.5323		2.5283
O6	3.4686	1.4636	2.5323	2.5323	2.5283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.166	Mg1	O4	S2	90.166
O3	Mg1	O4	82.104	O3	S2	O4	97.564
O3	S2	O5	109.397	O3	S2	O6	109.397
O4	S2	O5	109.397	O4	S2	O6	109.397
O5	S2	O6	119.469

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

using model chemistry: TPSSh/6-31+G**

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	0.893
2	S	1.605
3	O	-0.683
4	O	-0.683
5	O	-0.566
6	O	-0.566

	x	y	z	Total
	0.000	0.000	-12.536	12.536
CHELPG
AIM
ESP

<r²>	154.868
(<r²>)^1/2	12.445

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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