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	hartrees
Energy at 0K	-894.482781
Energy at 298.15K	-894.486467
HF Energy	-894.482781
Nuclear repulsion energy	384.234803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1213	1152	251.64
2	A₁	805	764	263.84
3	A₁	776	737	43.93
4	A₁	583	553	3.71
5	A₁	394	374	43.77
6	A₂	365	347	0.00
7	B₁	1406	1335	187.65
8	B₁	534	508	43.11
9	B₁	112	106	40.47
10	B₂	796	756	317.56
11	B₂	649	617	10.66
12	B₂	464	441	4.63

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.880
S2	0.000	0.000	0.585
O3	0.000	1.214	-0.486
O4	0.000	-1.214	-0.486
O5	-1.257	0.000	1.311
O6	1.257	0.000	1.311

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4656	1.8487	1.8487	3.4301	3.4301
S2	2.4656		1.6190	1.6190	1.4517	1.4517
O3	1.8487	1.6190		2.4279	2.5067	2.5067
O4	1.8487	1.6190	2.4279		2.5067	2.5067
O5	3.4301	1.4517	2.5067	2.5067		2.5146
O6	3.4301	1.4517	2.5067	2.5067	2.5146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.384	Mg1	O4	S2	90.384
O3	Mg1	O4	82.087	O3	S2	O4	97.144
O3	S2	O5	109.315	O3	S2	O6	109.315
O4	S2	O5	109.315	O4	S2	O6	109.315
O5	S2	O6	120.014

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

using model chemistry: mPW1PW91/3-21G*

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	0.758
2	S	1.308
3	O	-0.569
4	O	-0.569
5	O	-0.464
6	O	-0.464

	x	y	z	Total
	0.000	0.000	-11.818	11.818
CHELPG
AIM
ESP

<r²>	151.526
(<r²>)^1/2	12.310

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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