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	hartrees
Energy at 0K	-894.054253
Energy at 298.15K	-894.057923
HF Energy	-894.054253
Nuclear repulsion energy	384.107680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1211	1163	244.28
2	A₁	801	769	262.70
3	A₁	774	743	39.56
4	A₁	581	558	3.38
5	A₁	393	377	41.95
6	A₂	362	347	0.00
7	B₁	1405	1349	179.20
8	B₁	531	509	40.62
9	B₁	111	107	39.34
10	B₂	791	759	307.32
11	B₂	646	620	11.84
12	B₂	462	444	4.98

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.879
S2	0.000	0.000	0.585
O3	0.000	1.215	-0.486
O4	0.000	-1.215	-0.486
O5	-1.258	0.000	1.311
O6	1.258	0.000	1.311

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4644	1.8487	1.8487	3.4291	3.4291
S2	2.4644		1.6203	1.6203	1.4523	1.4523
O3	1.8487	1.6203		2.4310	2.5079	2.5079
O4	1.8487	1.6203	2.4310		2.5079	2.5079
O5	3.4291	1.4523	2.5079	2.5079		2.5161
O6	3.4291	1.4523	2.5079	2.5079	2.5161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.287	Mg1	O4	S2	90.287
O3	Mg1	O4	82.219	O3	S2	O4	97.206
O3	S2	O5	109.293	O3	S2	O6	109.293
O4	S2	O5	109.293	O4	S2	O6	109.293
O5	S2	O6	120.049

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

using model chemistry: HSEh1PBE/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	0.744
2	S	1.294
3	O	-0.561
4	O	-0.561
5	O	-0.457
6	O	-0.457

	x	y	z	Total
	0.000	0.000	-11.656	11.656
CHELPG
AIM
ESP

<r²>	151.639
(<r²>)^1/2	12.314

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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