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	hartrees
Energy at 0K	-73.106973
Energy at 298.15K	-73.109845
HF Energy	-73.106973
Nuclear repulsion energy	99.732732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	845	771	198.88
2	A₁	696	635	109.77
3	A₁	637	582	28.17
4	A₁	472	431	16.64
5	A₁	282	258	45.90
6	A₂	279	255	0.00
7	B₁	808	738	22.61
8	B₁	433	396	125.01
9	B₁	101	92	47.78
10	B₂	745	680	210.37
11	B₂	580	529	29.49
12	B₂	325	296	2.76

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-2.022
S2	0.000	0.000	0.642
O3	0.000	1.223	-0.574
O4	0.000	-1.223	-0.574
O5	-1.432	0.000	1.449
O6	1.432	0.000	1.449

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6645	1.8956	1.8956	3.7553	3.7553
S2	2.6645		1.7253	1.7253	1.6437	1.6437
O3	1.8956	1.7253		2.4467	2.7644	2.7644
O4	1.8956	1.7253	2.4467		2.7644	2.7644
O5	3.7553	1.6437	2.7644	2.7644		2.8639
O6	3.7553	1.6437	2.7644	2.7644	2.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	94.648	Mg1	O4	S2	94.648
O3	Mg1	O4	80.387	O3	S2	O4	90.317
O3	S2	O5	110.255	O3	S2	O6	110.255
O4	S2	O5	110.255	O4	S2	O6	110.255
O5	S2	O6	121.192

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

using model chemistry: HF/CEP-121G

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	1.615
2	S	1.503
3	O	-0.982
4	O	-0.982
5	O	-0.576
6	O	-0.576

	x	y	z	Total
	0.000	0.000	-15.353	15.353
CHELPG
AIM
ESP

<r²>	106.049
(<r²>)^1/2	10.298

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

using model chemistry: HF/CEP-121G

States and conformations

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