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	hartrees
Energy at 0K	-894.452878
Energy at 298.15K	-894.456626
HF Energy	-894.452878
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1234	1170	274.37
2	A₁	823	780	264.99
3	A₁	774	733	74.25
4	A₁	593	562	4.62
5	A₁	401	380	51.04
6	A₂	380	360	0.00
7	B₁	1433	1358	213.65
8	B₁	551	523	49.99
9	B₁	114	108	44.81
10	B₂	811	769	359.98
11	B₂	652	618	3.24
12	B₂	469	445	2.93

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.886
S2	0.000	0.000	0.587
O3	0.000	1.208	-0.482
O4	0.000	-1.208	-0.482
O5	-1.254	0.000	1.310
O6	1.254	0.000	1.310

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4728	1.8521	1.8521	3.4337	3.4337
S2	2.4728		1.6130	1.6130	1.4477	1.4477
O3	1.8521	1.6130		2.4160	2.4990	2.4990
O4	1.8521	1.6130	2.4160		2.4990	2.4990
O5	3.4337	1.4477	2.4990	2.4990		2.5075
O6	3.4337	1.4477	2.4990	2.4990	2.5075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.792	Mg1	O4	S2	90.792
O3	Mg1	O4	81.420	O3	S2	O4	96.997
O3	S2	O5	109.350	O3	S2	O6	109.350
O4	S2	O5	109.350	O4	S2	O6	109.350
O5	S2	O6	119.998

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

using model chemistry: wB97X-D/3-21G*

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	0.795
2	S	1.324
3	O	-0.586
4	O	-0.586
5	O	-0.474
6	O	-0.474

	x	y	z	Total
	0.000	0.000	-12.388	12.388
CHELPG
AIM
ESP

<r²>	151.153
(<r²>)^1/2	12.294

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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