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	hartrees
Energy at 0K	-896.537822
Energy at 298.15K	-896.541811
HF Energy	-896.537822
Nuclear repulsion energy	387.308713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1258	1143	345.74
2	A₁	909	826	232.30
3	A₁	810	736	123.18
4	A₁	629	571	7.32
5	A₁	421	382	73.01
6	A₂	406	369	0.00
7	B₁	1421	1291	355.99
8	B₁	610	554	80.21
9	B₁	121	110	47.55
10	B₂	905	822	484.92
11	B₂	696	632	5.51
12	B₂	496	450	1.05

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.588
O3	0.000	1.179	-0.472
O4	0.000	-1.179	-0.472
O5	-1.239	0.000	1.315
O6	1.239	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4963	1.8586	1.8586	3.4539	3.4539
S2	2.4963		1.5849	1.5849	1.4372	1.4372
O3	1.8586	1.5849		2.3577	2.4737	2.4737
O4	1.8586	1.5849	2.3577		2.4737	2.4737
O5	3.4539	1.4372	2.4737	2.4737		2.4789
O6	3.4539	1.4372	2.4737	2.4737	2.4789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	92.578	Mg1	O4	S2	92.578
O3	Mg1	O4	78.733	O3	S2	O4	96.112
O3	S2	O5	109.777	O3	S2	O6	109.777
O4	S2	O5	109.777	O4	S2	O6	109.777
O5	S2	O6	119.176

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

using model chemistry: HF/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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Number	Element	Mulliken
1	Mg	1.154
2	S	1.554
3	O	-0.763
4	O	-0.763
5	O	-0.591
6	O	-0.591

	x	y	z	Total
	0.000	0.000	-14.043	14.043
CHELPG
AIM
ESP

<r²>	150.572
(<r²>)^1/2	12.271

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

using model chemistry: HF/cc-pVDZ

States and conformations

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