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	hartrees
Energy at 0K	-896.156624
Energy at 298.15K	-896.160185
HF Energy	-896.156624
Nuclear repulsion energy	387.055235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1186	1173	217.74
2	A₁	779	770	264.35
3	A₁	751	743	11.32
4	A₁	564	558	5.80
5	A₁	381	377	42.28
6	A₂	341	338	0.00
7	B₁	1357	1342	185.01
8	B₁	516	510	23.71
9	B₁	93	92	34.43
10	B₂	763	755	318.09
11	B₂	627	621	17.10
12	B₂	453	448	1.84

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.861
S2	0.000	0.000	0.573
O3	0.000	1.213	-0.478
O4	0.000	-1.213	-0.478
O5	-1.247	0.000	1.301
O6	1.247	0.000	1.301

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4342	1.8394	1.8394	3.3987	3.3987
S2	2.4342		1.6056	1.6056	1.4437	1.4437
O3	1.8394	1.6056		2.4265	2.4885	2.4885
O4	1.8394	1.6056	2.4265		2.4885	2.4885
O5	3.3987	1.4437	2.4885	2.4885		2.4940
O6	3.3987	1.4437	2.4885	2.4885	2.4940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	89.650	Mg1	O4	S2	89.650
O3	Mg1	O4	82.538	O3	S2	O4	98.162
O3	S2	O5	109.273	O3	S2	O6	109.273
O4	S2	O5	109.273	O4	S2	O6	109.273
O5	S2	O6	119.480

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

using model chemistry: LSDA/cc-pVTZ

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	0.689
2	S	0.893
3	O	-0.400
4	O	-0.400
5	O	-0.391
6	O	-0.391

	x	y	z	Total
	0.000	0.000	-11.731	11.731
CHELPG
AIM
ESP

<r²>	149.727
(<r²>)^1/2	12.236

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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