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	hartrees
Energy at 0K	-899.147281
Energy at 298.15K	-899.150774
HF Energy	-899.147281
Nuclear repulsion energy	380.610652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1137	1095	254.11
2	A₁	747	720	300.24
3	A₁	730	703	4.42
4	A₁	558	537	11.86
5	A₁	377	363	47.24
6	A₂	340	328	0.00
7	B₁	1298	1249	250.76
8	B₁	515	496	37.09
9	B₁	108	104	39.05
10	B₂	741	713	342.06
11	B₂	594	572	27.69
12	B₂	445	429	0.98

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.905
S2	0.000	0.000	0.591
O3	0.000	1.226	-0.490
O4	0.000	-1.226	-0.490
O5	-1.261	0.000	1.329
O6	1.261	0.000	1.329

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4957	1.8721	1.8721	3.4711	3.4711
S2	2.4957		1.6343	1.6343	1.4616	1.4616
O3	1.8721	1.6343		2.4518	2.5303	2.5303
O4	1.8721	1.6343	2.4518		2.5303	2.5303
O5	3.4711	1.4616	2.5303	2.5303		2.5230
O6	3.4711	1.4616	2.5303	2.5303	2.5230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.493	Mg1	O4	S2	90.493
O3	Mg1	O4	81.813	O3	S2	O4	97.201
O3	S2	O5	109.509	O3	S2	O6	109.509
O4	S2	O5	109.509	O4	S2	O6	109.509
O5	S2	O6	119.336

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

using model chemistry: B3LYPultrafine/6-31+G**

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	0.928
2	S	1.767
3	O	-0.736
4	O	-0.736
5	O	-0.611
6	O	-0.611

	x	y	z	Total
	0.000	0.000	-12.601	12.601
CHELPG
AIM
ESP

<r²>	154.966
(<r²>)^1/2	12.449

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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