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	hartrees
Energy at 0K	-898.931109
Energy at 298.15K	-898.933641
HF Energy	-898.931109
Nuclear repulsion energy	351.924773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	875	841	127.95
2	A₁	654	628	101.90
3	A₁	559	538	108.61
4	A₁	425	408	25.96
5	A₁	296	285	30.88
6	A₂	242	233	0.00
7	B₁	975	938	86.59
8	B₁	380	365	51.43
9	B₁	110	106	39.58
10	B₂	604	580	95.68
11	B₂	462	444	109.64
12	B₂	316	303	0.02

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-2.005
S2	0.000	0.000	0.659
O3	0.000	1.299	-0.604
O4	0.000	-1.299	-0.604
O5	-1.387	0.000	1.449
O6	1.387	0.000	1.449

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6641	1.9107	1.9107	3.7223	3.7223
S2	2.6641		1.8114	1.8114	1.5965	1.5965
O3	1.9107	1.8114		2.5975	2.7973	2.7973
O4	1.9107	1.8114	2.5975		2.7973	2.7973
O5	3.7223	1.5965	2.7973	2.7973		2.7745
O6	3.7223	1.5965	2.7973	2.7973	2.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.372	Mg1	O4	S2	91.372
O3	Mg1	O4	85.644	O3	S2	O4	91.613
O3	S2	O5	110.180	O3	S2	O6	110.180
O4	S2	O5	110.180	O4	S2	O6	110.180
O5	S2	O6	120.677

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

using model chemistry: B3LYP/SDD

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	1.219
2	S	1.339
3	O	-0.740
4	O	-0.740
5	O	-0.539
6	O	-0.539

	x	y	z	Total
	0.000	0.000	-12.027	12.027
CHELPG
AIM
ESP

<r²>	178.025
(<r²>)^1/2	13.343

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

using model chemistry: B3LYP/SDD

States and conformations

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