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	hartrees
Energy at 0K	-894.372661
Energy at 298.15K	-894.376480
HF Energy	-894.372661
Nuclear repulsion energy	385.460364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1229	1164	277.52
2	A₁	847	802	232.30
3	A₁	807	764	91.27
4	A₁	597	566	2.54
5	A₁	404	383	50.07
6	A₂	383	363	0.00
7	B₁	1411	1337	214.33
8	B₁	562	532	58.07
9	B₁	120	113	41.29
10	B₂	836	792	364.97
11	B₂	681	645	2.23
12	B₂	476	451	5.91

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.877
S2	0.000	0.000	0.585
O3	0.000	1.205	-0.485
O4	0.000	-1.205	-0.485
O5	-1.256	0.000	1.308
O6	1.256	0.000	1.308

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4617	1.8404	1.8404	3.4229	3.4229
S2	2.4617		1.6119	1.6119	1.4487	1.4487
O3	1.8404	1.6119		2.4100	2.4989	2.4989
O4	1.8404	1.6119	2.4100		2.4989	2.4989
O5	3.4229	1.4487	2.4989	2.4989		2.5114
O6	3.4229	1.4487	2.4989	2.4989	2.5114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.720	Mg1	O4	S2	90.720
O3	Mg1	O4	81.802	O3	S2	O4	96.758
O3	S2	O5	109.346	O3	S2	O6	109.346
O4	S2	O5	109.346	O4	S2	O6	109.346
O5	S2	O6	120.164

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

using model chemistry: M06-2X/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	0.763
2	S	1.332
3	O	-0.575
4	O	-0.575
5	O	-0.472
6	O	-0.472

	x	y	z	Total
	0.000	0.000	-12.123	12.123
CHELPG
AIM
ESP

<r²>	150.874
(<r²>)^1/2	12.283

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

using model chemistry: M06-2X/3-21G*

States and conformations

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