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	hartrees
Energy at 0K	-898.630285
Energy at 298.15K	-898.633790
HF Energy	-898.319658
Nuclear repulsion energy	380.415196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1139	1084	261.06
2	A₁	749	713	320.89
3	A₁	724	690	5.07
4	A₁	559	533	13.44
5	A₁	378	360	50.51
6	A₂	344	328	0.00
7	B₁	1304	1242	252.83
8	B₁	519	494	39.34
9	B₁	109	104	40.64
10	B₂	740	705	354.97
11	B₂	598	569	27.68
12	B₂	447	425	0.75

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.907
S2	0.000	0.000	0.590
O3	0.000	1.228	-0.488
O4	0.000	-1.228	-0.488
O5	-1.263	0.000	1.327
O6	1.263	0.000	1.327

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4967	1.8766	1.8766	3.4717	3.4717
S2	2.4967		1.6340	1.6340	1.4622	1.4622
O3	1.8766	1.6340		2.4563	2.5293	2.5293
O4	1.8766	1.6340	2.4563		2.5293	2.5293
O5	3.4717	1.4622	2.5293	2.5293		2.5255
O6	3.4717	1.4622	2.5293	2.5293	2.5255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.391	Mg1	O4	S2	90.391
O3	Mg1	O4	81.755	O3	S2	O4	97.463
O3	S2	O5	109.426	O3	S2	O6	109.426
O4	S2	O5	109.426	O4	S2	O6	109.426
O5	S2	O6	119.439

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

using model chemistry: B2PLYP/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	0.930
2	S	1.798
3	O	-0.747
4	O	-0.747
5	O	-0.617
6	O	-0.617

	x	y	z	Total
	0.000	0.000	-12.761	12.761
CHELPG
AIM
ESP

	x	y	z
x	6.828	0.000	0.000
y	0.000	5.899	-0.000
z	0.000	-0.000	9.332

<r²>	155.146
(<r²>)^1/2	12.456

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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