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	hartrees
Energy at 0K	-887.825105
Energy at 298.15K	-887.827388
HF Energy	-887.825105
Nuclear repulsion energy	356.694920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	915	808	79.71
2	A₁	865	763	62.08
3	A₁	608	537	60.70
4	A₁	431	380	12.91
5	A₁	253	223	16.73
6	A₂	217	191	0.00
7	B₁	1029	909	38.79
8	B₁	331	292	36.71
9	B₁	96	85	25.29
10	B₂	885	781	34.29
11	B₂	541	477	51.83
12	B₂	280	247	4.11

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.834
S2	0.000	0.000	0.622
O3	0.000	1.339	-0.650
O4	0.000	-1.339	-0.650
O5	-1.413	0.000	1.404
O6	1.413	0.000	1.404

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4558	1.7881	1.7881	3.5328	3.5328
S2	2.4558		1.8466	1.8466	1.6151	1.6151
O3	1.7881	1.8466		2.6788	2.8296	2.8296
O4	1.7881	1.8466	2.6788		2.8296	2.8296
O5	3.5328	1.6151	2.8296	2.8296		2.8263
O6	3.5328	1.6151	2.8296	2.8296	2.8263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	84.993	Mg1	O4	S2	84.993
O3	Mg1	O4	97.018	O3	S2	O4	92.996
O3	S2	O5	109.471	O3	S2	O6	109.471
O4	S2	O5	109.471	O4	S2	O6	109.471
O5	S2	O6	122.077

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

using model chemistry: B1B95/STO-3G

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	0.818
2	S	0.753
3	O	-0.415
4	O	-0.415
5	O	-0.370
6	O	-0.370

	x	y	z	Total
	0.000	0.000	-8.610	8.610
CHELPG
AIM
ESP

<r²>	167.149
(<r²>)^1/2	12.929

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

using model chemistry: B1B95/STO-3G

States and conformations

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