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	hartrees
Energy at 0K	-899.349583
Energy at 298.15K	-899.353195
HF Energy	-899.349583
Nuclear repulsion energy	384.826134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1162	1124	242.42
2	A₁	771	746	292.88
3	A₁	747	723	6.62
4	A₁	571	553	9.99
5	A₁	387	374	49.06
6	A₂	356	345	0.00
7	B₁	1321	1278	246.93
8	B₁	533	516	32.97
9	B₁	105	102	38.13
10	B₂	761	736	347.96
11	B₂	615	595	19.32
12	B₂	459	444	0.62

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.886
S2	0.000	0.000	0.581
O3	0.000	1.213	-0.482
O4	0.000	-1.213	-0.482
O5	-1.247	0.000	1.315
O6	1.247	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4666	1.8551	1.8551	3.4356	3.4356
S2	2.4666		1.6125	1.6125	1.4476	1.4476
O3	1.8551	1.6125		2.4254	2.5014	2.5014
O4	1.8551	1.6125	2.4254		2.5014	2.5014
O5	3.4356	1.4476	2.5014	2.5014		2.4947
O6	3.4356	1.4476	2.5014	2.5014	2.4947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.407	Mg1	O4	S2	90.407
O3	Mg1	O4	81.644	O3	S2	O4	97.543
O3	S2	O5	109.539	O3	S2	O6	109.539
O4	S2	O5	109.539	O4	S2	O6	109.539
O5	S2	O6	119.009

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

using model chemistry: B3LYPultrafine/aug-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	0.935
2	S	2.415
3	O	-0.815
4	O	-0.815
5	O	-0.860
6	O	-0.860

	x	y	z	Total
	0.000	0.000	-12.507	12.507
CHELPG
AIM
ESP

<r²>	151.864
(<r²>)^1/2	12.323

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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