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	hartrees
Energy at 0K	-898.734238
Energy at 298.15K	-898.737635
HF Energy	-898.734238
Nuclear repulsion energy	381.261747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1133	1125	201.13
2	A₁	731	726	224.32
3	A₁	711	706	34.52
4	A₁	544	540	9.30
5	A₁	370	367	38.55
6	A₂	326	324	0.00
7	B₁	1297	1288	167.10
8	B₁	495	491	19.39
9	B₁	92	92	33.32
10	B₂	718	713	259.99
11	B₂	574	570	46.94
12	B₂	440	436	2.13

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.885
S2	0.000	0.000	0.583
O3	0.000	1.239	-0.489
O4	0.000	-1.239	-0.489
O5	-1.261	0.000	1.319
O6	1.261	0.000	1.319

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4683	1.8666	1.8666	3.4436	3.4436
S2	2.4683		1.6379	1.6379	1.4602	1.4602
O3	1.8666	1.6379		2.4771	2.5284	2.5284
O4	1.8666	1.6379	2.4771		2.5284	2.5284
O5	3.4436	1.4602	2.5284	2.5284		2.5221
O6	3.4436	1.4602	2.5284	2.5284	2.5221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.303	Mg1	O4	S2	89.303
O3	Mg1	O4	83.140	O3	S2	O4	98.253
O3	S2	O5	109.263	O3	S2	O6	109.263
O4	S2	O5	109.263	O4	S2	O6	109.263
O5	S2	O6	119.452

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	0.745
2	S	0.929
3	O	-0.432
4	O	-0.432
5	O	-0.405
6	O	-0.405

	x	y	z	Total
	0.000	0.000	-11.523	11.523
CHELPG
AIM
ESP

<r²>	153.567
(<r²>)^1/2	12.392

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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