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	hartrees
Energy at 0K	-885.387079
Energy at 298.15K	-885.389188
HF Energy	-885.387079
Nuclear repulsion energy	355.382647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	956	780	118.93
2	A₁	896	732	0.30
3	A₁	545	445	6.03
4	A₁	438	358	7.01
5	A₁	161	131	21.94
6	A₂	246	201	0.00
7	B₁	605	494	10.00
8	B₁	346	282	84.87
9	B₁	67	55	33.15
10	B₂	907	741	3.13
11	B₂	894	730	25.25
12	B₂	234	191	5.26

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.832
S2	0.000	0.000	0.614
O3	0.000	1.247	-0.572
O4	0.000	-1.247	-0.572
O5	-1.616	0.000	1.332
O6	1.616	0.000	1.332

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4459	1.7725	1.7725	3.5523	3.5523
S2	2.4459		1.7211	1.7211	1.7682	1.7682
O3	1.7725	1.7211		2.4939	2.7912	2.7912
O4	1.7725	1.7211	2.4939		2.7912	2.7912
O5	3.5523	1.7682	2.7912	2.7912		3.2321
O6	3.5523	1.7682	2.7912	2.7912	3.2321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	88.861	Mg1	O4	S2	88.861
O3	Mg1	O4	89.421	O3	S2	O4	92.858
O3	S2	O5	106.243	O3	S2	O6	106.243
O4	S2	O5	106.243	O4	S2	O6	106.243
O5	S2	O6	132.115

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

using model chemistry: HF/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	1.072
2	S	0.658
3	O	-0.481
4	O	-0.481
5	O	-0.384
6	O	-0.384

	x	y	z	Total
	0.000	0.000	-11.695	11.695
CHELPG
AIM
ESP

<r²>	167.798
(<r²>)^1/2	12.954

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

using model chemistry: HF/STO-3G

States and conformations

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