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	hartrees
Energy at 0K	-893.986713
Energy at 298.15K	-893.990319
HF Energy	-893.751868
Nuclear repulsion energy	381.761481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1178	1178	229.55
2	A₁	776	776	188.42
3	A₁	751	751	130.20
4	A₁	569	569	7.24
5	A₁	390	390	41.10
6	A₂	359	359	0.00
7	B₁	1375	1375	161.59
8	B₁	520	520	40.96
9	B₁	116	116	38.25
10	B₂	762	762	243.93
11	B₂	621	621	51.78
12	B₂	458	458	6.21

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.880
S2	0.000	0.000	0.589
O3	0.000	1.230	-0.495
O4	0.000	-1.230	-0.495
O5	-1.266	0.000	1.315
O6	1.266	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4690	1.8522	1.8522	3.4362	3.4362
S2	2.4690		1.6399	1.6399	1.4590	1.4590
O3	1.8522	1.6399		2.4604	2.5281	2.5281
O4	1.8522	1.6399	2.4604		2.5281	2.5281
O5	3.4362	1.4590	2.5281	2.5281		2.5316
O6	3.4362	1.4590	2.5281	2.5281	2.5316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.776	Mg1	O4	S2	89.776
O3	Mg1	O4	83.237	O3	S2	O4	97.210
O3	S2	O5	109.198	O3	S2	O6	109.198
O4	S2	O5	109.198	O4	S2	O6	109.198
O5	S2	O6	120.358

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

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

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

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