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	hartrees
Energy at 0K	-893.995236
Energy at 298.15K	-893.998919
HF Energy	-893.995236
Nuclear repulsion energy	384.298341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1215	1166	249.28
2	A₁	807	774	257.61
3	A₁	776	745	46.83
4	A₁	582	559	3.33
5	A₁	394	378	42.92
6	A₂	363	349	0.00
7	B₁	1408	1352	183.78
8	B₁	533	511	41.59
9	B₁	111	107	39.71
10	B₂	796	764	311.55
11	B₂	650	624	10.09
12	B₂	464	445	5.01

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.879
S2	0.000	0.000	0.585
O3	0.000	1.215	-0.485
O4	0.000	-1.215	-0.485
O5	-1.258	0.000	1.310
O6	1.258	0.000	1.310

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4631	1.8485	1.8485	3.4276	3.4276
S2	2.4631		1.6189	1.6189	1.4519	1.4519
O3	1.8485	1.6189		2.4298	2.5062	2.5062
O4	1.8485	1.6189	2.4298		2.5062	2.5062
O5	3.4276	1.4519	2.5062	2.5062		2.5152
O6	3.4276	1.4519	2.5062	2.5062	2.5152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.280	Mg1	O4	S2	90.280
O3	Mg1	O4	82.181	O3	S2	O4	97.258
O3	S2	O5	109.284	O3	S2	O6	109.284
O4	S2	O5	109.284	O4	S2	O6	109.284
O5	S2	O6	120.044

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

using model chemistry: PBE1PBE/3-21G*

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	0.748
2	S	1.301
3	O	-0.564
4	O	-0.564
5	O	-0.460
6	O	-0.460

	x	y	z	Total
	0.000	0.000	-11.711	11.711
CHELPG
AIM
ESP

<r²>	151.497
(<r²>)^1/2	12.308

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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