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	hartrees
Energy at 0K	-898.035501
Energy at 298.15K	-898.029407
HF Energy	-896.497997
Nuclear repulsion energy	390.063547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1279	1279	366.36
2	A₁	930	930	249.15
3	A₁	815	815	121.54
4	A₁	646	646	8.30
5	A₁	433	433	76.72
6	A₂	423	423	0.00
7	B₁	1448	1448	402.77
8	B₁	635	635	84.23
9	B₁	126	126	49.24
10	B₂	920	920	502.51
11	B₂	702	702	8.30
12	B₂	500	500	0.10

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.584
O3	0.000	1.171	-0.459
O4	0.000	-1.171	-0.459
O5	-1.225	0.000	1.307
O6	1.225	0.000	1.307

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4934	1.8634	1.8634	3.4417	3.4417
S2	2.4934		1.5683	1.5683	1.4223	1.4223
O3	1.8634	1.5683		2.3412	2.4477	2.4477
O4	1.8634	1.5683	2.3412		2.4477	2.4477
O5	3.4417	1.4223	2.4477	2.4477		2.4495
O6	3.4417	1.4223	2.4477	2.4477	2.4495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	92.797	Mg1	O4	S2	92.797
O3	Mg1	O4	77.838	O3	S2	O4	96.567
O3	S2	O5	109.773	O3	S2	O6	109.773
O4	S2	O5	109.773	O4	S2	O6	109.773
O5	S2	O6	118.889

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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