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	hartrees
Energy at 0K	-899.252490
Energy at 298.15K	-899.256012
HF Energy	-899.252490
Nuclear repulsion energy	381.475321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1150	1111	251.28
2	A₁	750	725	302.91
3	A₁	730	706	6.24
4	A₁	562	543	10.07
5	A₁	381	369	47.79
6	A₂	345	334	0.00
7	B₁	1322	1278	234.41
8	B₁	524	506	40.16
9	B₁	112	108	39.72
10	B₂	736	711	307.29
11	B₂	590	570	32.75
12	B₂	450	434	1.27

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.911
S2	0.000	0.000	0.595
O3	0.000	1.222	-0.486
O4	0.000	-1.222	-0.486
O5	-1.255	0.000	1.324
O6	1.255	0.000	1.324

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5062	1.8771	1.8771	3.4702	3.4702
S2	2.5062		1.6312	1.6312	1.4514	1.4514
O3	1.8771	1.6312		2.4431	2.5186	2.5186
O4	1.8771	1.6312	2.4431		2.5186	2.5186
O5	3.4702	1.4514	2.5186	2.5186		2.5100
O6	3.4702	1.4514	2.5186	2.5186	2.5100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.908	Mg1	O4	S2	90.908
O3	Mg1	O4	81.199	O3	S2	O4	96.985
O3	S2	O5	109.444	O3	S2	O6	109.444
O4	S2	O5	109.444	O4	S2	O6	109.444
O5	S2	O6	119.694

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

using model chemistry: B3LYPultrafine/6-311G*

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	1.031
2	S	1.230
3	O	-0.647
4	O	-0.647
5	O	-0.483
6	O	-0.483

	x	y	z	Total
	0.000	0.000	-12.557	12.557
CHELPG
AIM
ESP

<r²>	154.444
(<r²>)^1/2	12.428

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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