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	hartrees
Energy at 0K	-898.668454
Energy at 298.15K	-898.672088
HF Energy	-898.668454
Nuclear repulsion energy	384.356151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1193	1143	272.12
2	A₁	794	761	283.69
3	A₁	750	719	41.17
4	A₁	577	553	7.88
5	A₁	389	373	53.32
6	A₂	360	345	0.00
7	B₁	1370	1313	261.29
8	B₁	543	521	44.58
9	B₁	107	103	41.57
10	B₂	776	744	363.43
11	B₂	625	599	8.43
12	B₂	459	440	0.93

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.902
S2	0.000	0.000	0.588
O3	0.000	1.211	-0.475
O4	0.000	-1.211	-0.475
O5	-1.247	0.000	1.314
O6	1.247	0.000	1.314

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4901	1.8716	1.8716	3.4492	3.4492
S2	2.4901		1.6117	1.6117	1.4428	1.4428
O3	1.8716	1.6117		2.4225	2.4946	2.4946
O4	1.8716	1.6117	2.4225		2.4946	2.4946
O5	3.4492	1.4428	2.4946	2.4946		2.4938
O6	3.4492	1.4428	2.4946	2.4946	2.4938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.951	Mg1	O4	S2	90.951
O3	Mg1	O4	80.657	O3	S2	O4	97.441
O3	S2	O5	109.384	O3	S2	O6	109.384
O4	S2	O5	109.384	O4	S2	O6	109.384
O5	S2	O6	119.591

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

using model chemistry: PBE1PBE/6-311G*

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	1.062
2	S	1.226
3	O	-0.655
4	O	-0.655
5	O	-0.489
6	O	-0.489

	x	y	z	Total
	0.000	0.000	-12.903	12.903
CHELPG
AIM
ESP

<r²>	152.313
(<r²>)^1/2	12.342

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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