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	hartrees
Energy at 0K	-897.739440
Energy at 298.15K	-897.743314
HF Energy	-896.598627
Nuclear repulsion energy	391.656936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1274	1274	272.38
2	A₁	877	877	258.02
3	A₁	786	786	83.30
4	A₁	617	617	10.08
5	A₁	413	413	63.10
6	A₂	396	396	0.00
7	B₁	1452	1452	268.84
8	B₁	586	586	44.42
9	B₁	102	102	42.64
10	B₂	865	865	421.17
11	B₂	679	679	0.05
12	B₂	491	491	0.51

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.867
S2	0.000	0.000	0.570
O3	0.000	1.190	-0.459
O4	0.000	-1.190	-0.459
O5	-1.227	0.000	1.288
O6	1.227	0.000	1.288

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4371	1.8432	1.8432	3.3853	3.3853
S2	2.4371		1.5733	1.5733	1.4218	1.4218
O3	1.8432	1.5733		2.3798	2.4444	2.4444
O4	1.8432	1.5733	2.3798		2.4444	2.4444
O5	3.3853	1.4218	2.4444	2.4444		2.4546
O6	3.3853	1.4218	2.4444	2.4444	2.4546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.656	Mg1	O4	S2	90.656
O3	Mg1	O4	80.413	O3	S2	O4	98.275
O3	S2	O5	109.289	O3	S2	O6	109.289
O4	S2	O5	109.289	O4	S2	O6	109.289
O5	S2	O6	119.348

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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