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	hartrees
Energy at 0K	-899.251627
Energy at 298.15K	-899.255360
HF Energy	-899.251627
Nuclear repulsion energy	387.782877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1211	1162	255.25
2	A₁	819	785	261.90
3	A₁	768	737	50.74
4	A₁	588	564	7.89
5	A₁	397	381	53.04
6	A₂	373	357	0.00
7	B₁	1378	1322	243.73
8	B₁	554	531	36.56
9	B₁	101	97	39.77
10	B₂	808	775	386.26
11	B₂	649	622	4.02
12	B₂	473	454	0.63

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.873
S2	0.000	0.000	0.574
O3	0.000	1.204	-0.473
O4	0.000	-1.204	-0.473
O5	-1.240	0.000	1.304
O6	1.240	0.000	1.304

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4466	1.8465	1.8465	3.4100	3.4100
S2	2.4466		1.5953	1.5953	1.4390	1.4390
O3	1.8465	1.5953		2.4080	2.4786	2.4786
O4	1.8465	1.5953	2.4080		2.4786	2.4786
O5	3.4100	1.4390	2.4786	2.4786		2.4802
O6	3.4100	1.4390	2.4786	2.4786	2.4802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.303	Mg1	O4	S2	90.303
O3	Mg1	O4	81.390	O3	S2	O4	98.003
O3	S2	O5	109.438	O3	S2	O6	109.438
O4	S2	O5	109.438	O4	S2	O6	109.438
O5	S2	O6	119.035

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.832
2	S	1.043
3	O	-0.481
4	O	-0.481
5	O	-0.457
6	O	-0.457

	x	y	z	Total
	0.000	0.000	-12.635	12.635
CHELPG
AIM
ESP

<r²>	149.256
(<r²>)^1/2	12.217

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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