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	hartrees
Energy at 0K	-897.441769
Energy at 298.15K	-897.445368
HF Energy	-896.531007
Nuclear repulsion energy	379.151338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1156	1109	256.21
2	A₁	772	741	308.55
3	A₁	742	712	6.91
4	A₁	569	546	8.69
5	A₁	384	369	54.30
6	A₂	352	337	0.00
7	B₁	1326	1272	214.20
8	B₁	527	506	45.00
9	B₁	113	108	41.21
10	B₂	756	725	332.70
11	B₂	624	598	15.64
12	B₂	455	436	3.80

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.914
S2	0.000	0.000	0.597
O3	0.000	1.228	-0.491
O4	0.000	-1.228	-0.491
O5	-1.271	0.000	1.329
O6	1.271	0.000	1.329

	Mg1	S2	O3	O4	O5	O6
Mg1		2.5109	1.8797	1.8797	3.4829	3.4829
S2	2.5109		1.6405	1.6405	1.4666	1.4666
O3	1.8797	1.6405		2.4561	2.5366	2.5366
O4	1.8797	1.6405	2.4561		2.5366	2.5366
O5	3.4829	1.4666	2.5366	2.5366		2.5421
O6	3.4829	1.4666	2.5366	2.5366	2.5421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.742	Mg1	O4	S2	90.742
O3	Mg1	O4	81.582	O3	S2	O4	96.933
O3	S2	O5	109.319	O3	S2	O6	109.319
O4	S2	O5	109.319	O4	S2	O6	109.319
O5	S2	O6	120.141

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

using model chemistry: QCISD/cc-pVDZ

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

using model chemistry: QCISD/cc-pVDZ

States and conformations

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