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	hartrees
Energy at 0K	-899.035142
Energy at 298.15K	-899.038722
HF Energy	-899.035142
Nuclear repulsion energy	383.059618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1174	1130	267.52
2	A₁	772	743	303.81
3	A₁	741	713	18.54
4	A₁	569	548	9.54
5	A₁	385	370	52.33
6	A₂	354	341	0.00
7	B₁	1350	1300	254.47
8	B₁	535	515	43.08
9	B₁	107	103	41.74
10	B₂	760	731	350.22
11	B₂	609	587	16.98
12	B₂	454	437	0.88

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.906
S2	0.000	0.000	0.591
O3	0.000	1.217	-0.479
O4	0.000	-1.217	-0.479
O5	-1.251	0.000	1.318
O6	1.251	0.000	1.318

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4964	1.8747	1.8747	3.4581	3.4581
S2	2.4964		1.6202	1.6202	1.4468	1.4468
O3	1.8747	1.6202		2.4331	2.5051	2.5051
O4	1.8747	1.6202	2.4331		2.5051	2.5051
O5	3.4581	1.4468	2.5051	2.5051		2.5011
O6	3.4581	1.4468	2.5051	2.5051	2.5011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.875	Mg1	O4	S2	90.875
O3	Mg1	O4	80.920	O3	S2	O4	97.331
O3	S2	O5	109.401	O3	S2	O6	109.401
O4	S2	O5	109.401	O4	S2	O6	109.401
O5	S2	O6	119.610

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

using model chemistry: B3PW91/6-311G*

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	1.057
2	S	1.229
3	O	-0.655
4	O	-0.655
5	O	-0.489
6	O	-0.489

	x	y	z	Total
	0.000	0.000	-12.858	12.858
CHELPG
AIM
ESP

<r²>	153.117
(<r²>)^1/2	12.374

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

using model chemistry: B3PW91/6-311G*

States and conformations

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