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	hartrees
Energy at 0K	-884.560908
Energy at 298.15K	-884.563056
HF Energy	-884.560908
Nuclear repulsion energy	355.129371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	965	864	67.89
2	A₁	845	757	40.04
3	A₁	577	517	83.68
4	A₁	412	369	11.33
5	A₁	258	231	13.88
6	A₂	189	169	0.00
7	B₁	1090	976	33.54
8	B₁	307	275	26.17
9	B₁	99	88	19.64
10	B₂	890	797	33.86
11	B₂	472	423	49.08
12	B₂	270	242	1.52

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.816
S2	0.000	0.000	0.623
O3	0.000	1.374	-0.672
O4	0.000	-1.374	-0.672
O5	-1.401	0.000	1.412
O6	1.401	0.000	1.412

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4386	1.7879	1.7879	3.5183	3.5183
S2	2.4386		1.8883	1.8883	1.6075	1.6075
O3	1.7879	1.8883		2.7485	2.8623	2.8623
O4	1.7879	1.8883	2.7485		2.8623	2.8623
O5	3.5183	1.6075	2.8623	2.8623		2.8012
O6	3.5183	1.6075	2.8623	2.8623	2.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	83.064	Mg1	O4	S2	83.064
O3	Mg1	O4	100.467	O3	S2	O4	93.404
O3	S2	O5	109.667	O3	S2	O6	109.667
O4	S2	O5	109.667	O4	S2	O6	109.667
O5	S2	O6	121.219

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

using model chemistry: LSDA/STO-3G

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	0.677
2	S	0.697
3	O	-0.368
4	O	-0.368
5	O	-0.319
6	O	-0.319

	x	y	z	Total
	0.000	0.000	-6.820	6.820
CHELPG
AIM
ESP

<r²>	168.363
(<r²>)^1/2	12.975

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

using model chemistry: LSDA/STO-3G

States and conformations

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