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	hartrees
Energy at 0K	-898.639350
Energy at 298.15K	-898.642296
HF Energy	-898.639350
Nuclear repulsion energy	356.585309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	932	932	159.87
2	A₁	696	696	186.02
3	A₁	675	675	43.21
4	A₁	468	468	10.01
5	A₁	311	311	42.96
6	A₂	267	267	0.00
7	B₁	1041	1041	79.01
8	B₁	426	426	68.54
9	B₁	110	110	43.82
10	B₂	671	671	223.14
11	B₂	585	585	3.84
12	B₂	344	344	2.84

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.985
S2	0.000	0.000	0.637
O3	0.000	1.267	-0.577
O4	0.000	-1.267	-0.577
O5	-1.391	0.000	1.428
O6	1.391	0.000	1.428

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6228	1.8950	1.8950	3.6859	3.6859
S2	2.6228		1.7551	1.7551	1.5999	1.5999
O3	1.8950	1.7551		2.5349	2.7495	2.7495
O4	1.8950	1.7551	2.5349		2.7495	2.7495
O5	3.6859	1.5999	2.7495	2.7495		2.7819
O6	3.6859	1.5999	2.7495	2.7495	2.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.789	Mg1	O4	S2	91.789
O3	Mg1	O4	83.956	O3	S2	O4	92.466
O3	S2	O5	109.986	O3	S2	O6	109.986
O4	S2	O5	109.986	O4	S2	O6	109.986
O5	S2	O6	120.777

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

using model chemistry: M06-2X/6-31G

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	1.254
2	S	1.489
3	O	-0.801
4	O	-0.801
5	O	-0.571
6	O	-0.571

	x	y	z	Total
	0.000	0.000	-13.199	13.199
CHELPG
AIM
ESP

<r²>	173.581
(<r²>)^1/2	13.175

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

using model chemistry: M06-2X/6-31G

States and conformations

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