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	hartrees
Energy at 0K	-469.930402
Energy at 298.15K	-469.934525
HF Energy	-469.930402
Nuclear repulsion energy	158.306035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3750	0.00
2	A'	704	698	0.00
3	A'	629	624	0.00
4	A"	300	298	329.37
5	A"	274	271	17.38
6	E'	3782	3750	87.02
6	E'	3782	3750	86.99
7	E'	900	893	104.10
7	E'	900	893	104.11
8	E'	694	688	181.64
8	E'	694	688	181.55
9	E'	219	217	24.90
9	E'	219	217	24.90
10	E"	346	343	0.00
10	E"	346	343	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.739
O3	-1.506	-0.869
O4	1.506	-0.869
H5	-0.856	2.192
H6	-1.470	-1.838
H7	2.326	-0.354

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7387	1.7387	1.7387	2.3533	2.3533	2.3533
O2	1.7387		3.0115	3.0115	0.9690	3.8667	3.1293
O3	1.7387	3.0115		3.0115	3.1293	0.9690	3.8667
O4	1.7387	3.0115	3.0115		3.8667	3.1293	0.9690
H5	2.3533	0.9690	3.1293	3.8667		4.0760	4.0760
H6	2.3533	3.8667	0.9690	3.1293	4.0760		4.0760
H7	2.3533	3.1293	3.8667	0.9690	4.0760	4.0760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	117.885	Al1	O3	H6	117.885
Al1	O4	H7	117.885	O2	Al1	O3	120.000
O2	Al1	O4	120.000	O3	Al1	O4	120.000

All results from a given calculation for H₃AlO₃ (Aluminum hydroxide)

using model chemistry: B97D3/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	Al	0.677
2	O	-0.396
3	O	-0.396
4	O	-0.396
5	H	0.170
6	H	0.170
7	H	0.170

	x	y	z
x	4.972	0.001	0.000
y	0.001	4.972	0.000
z	0.000	0.000	3.581

<r²>	106.354
(<r²>)^1/2	10.313

All results from a given calculation for H3AlO3 (Aluminum hydroxide)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for H₃AlO₃ (Aluminum hydroxide)