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	hartrees
Energy at 0K	-898.641319
Energy at 298.15K
HF Energy	-898.319830
Nuclear repulsion energy	380.650567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1141	1141	261.80
2	A₁	751	751	322.11
3	A₁	726	726	3.78
4	A₁	560	560	13.22
5	A₁	378	378	50.57
6	A₂	346	346	0.00
7	B₁	1307	1307	253.28
8	B₁	519	519	39.46
9	B₁	110	110	40.57
10	B₂	742	742	356.53
11	B₂	600	600	26.69
12	B₂	447	447	0.75

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.905
S2	0.000	0.000	0.590
O3	0.000	1.227	-0.487
O4	0.000	-1.227	-0.487
O5	-1.262	0.000	1.326
O6	1.262	0.000	1.326

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4947	1.8753	1.8753	3.4692	3.4692
S2	2.4947		1.6327	1.6327	1.4617	1.4617
O3	1.8753	1.6327		2.4546	2.5276	2.5276
O4	1.8753	1.6327	2.4546		2.5276	2.5276
O5	3.4692	1.4617	2.5276	2.5276		2.5250
O6	3.4692	1.4617	2.5276	2.5276	2.5250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.384	Mg1	O4	S2	90.384
O3	Mg1	O4	81.758	O3	S2	O4	97.474
O3	S2	O5	109.414	O3	S2	O6	109.414
O4	S2	O5	109.414	O4	S2	O6	109.414
O5	S2	O6	119.471

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for MgSO4 (Magnesium Sulfate)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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