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	hartrees
Energy at 0K	-899.147269
Energy at 298.15K	-899.150759
HF Energy	-899.147269
Nuclear repulsion energy	380.591336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1136	1096	253.98
2	A₁	747	720	298.60
3	A₁	729	703	6.14
4	A₁	558	538	11.86
5	A₁	377	364	47.24
6	A₂	340	328	0.00
7	B₁	1297	1251	250.58
8	B₁	515	497	37.12
9	B₁	108	104	38.96
10	B₂	740	713	341.06
11	B₂	594	573	28.35
12	B₂	445	429	0.98

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.905
S2	0.000	0.000	0.591
O3	0.000	1.226	-0.490
O4	0.000	-1.226	-0.490
O5	-1.262	0.000	1.329
O6	1.262	0.000	1.329

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4957	1.8722	1.8722	3.4711	3.4711
S2	2.4957		1.6345	1.6345	1.4616	1.4616
O3	1.8722	1.6345		2.4522	2.5304	2.5304
O4	1.8722	1.6345	2.4522		2.5304	2.5304
O5	3.4711	1.4616	2.5304	2.5304		2.5231
O6	3.4711	1.4616	2.5304	2.5304	2.5231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.485	Mg1	O4	S2	90.485
O3	Mg1	O4	81.823	O3	S2	O4	97.207
O3	S2	O5	109.505	O3	S2	O6	109.505
O4	S2	O5	109.505	O4	S2	O6	109.505
O5	S2	O6	119.346

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

using model chemistry: B3LYP/6-31+G**

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	0.929
2	S	1.766
3	O	-0.736
4	O	-0.736
5	O	-0.611
6	O	-0.611

	x	y	z	Total
	0.000	0.000	-12.599	12.599
CHELPG
AIM
ESP

<r²>	154.976
(<r²>)^1/2	12.449

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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