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	hartrees
Energy at 0K	-898.784256
Energy at 298.15K	-898.786968
HF Energy	-898.784256
Nuclear repulsion energy	354.154810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	910	867	145.07
2	A₁	681	649	120.27
3	A₁	632	602	102.96
4	A₁	439	419	11.42
5	A₁	296	283	35.69
6	A₂	242	230	0.00
7	B₁	1017	970	80.33
8	B₁	390	372	53.41
9	B₁	102	98	41.50
10	B₂	636	607	159.76
11	B₂	544	519	46.57
12	B₂	320	306	1.64

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.986
S2	0.000	0.000	0.642
O3	0.000	1.292	-0.587
O4	0.000	-1.292	-0.587
O5	-1.393	0.000	1.434
O6	1.393	0.000	1.434

	Mg1	S2	O3	O4	O5	O6
Mg1		2.6276	1.9041	1.9041	3.6926	3.6926
S2	2.6276		1.7832	1.7832	1.6024	1.6024
O3	1.9041	1.7832		2.5841	2.7740	2.7740
O4	1.9041	1.7832	2.5841		2.7740	2.7740
O5	3.6926	1.6024	2.7740	2.7740		2.7857
O6	3.6926	1.6024	2.7740	2.7740	2.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	90.834	Mg1	O4	S2	90.834
O3	Mg1	O4	85.466	O3	S2	O4	92.866
O3	S2	O5	109.924	O3	S2	O6	109.924
O4	S2	O5	109.924	O4	S2	O6	109.924
O5	S2	O6	120.735

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

using model chemistry: B1B95/6-31G

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	1.198
2	S	1.381
3	O	-0.753
4	O	-0.753
5	O	-0.537
6	O	-0.537

	x	y	z	Total
	0.000	0.000	-12.474	12.474
CHELPG
AIM
ESP

<r²>	175.168
(<r²>)^1/2	13.235

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

using model chemistry: B1B95/6-31G

States and conformations

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