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	hartrees
Energy at 0K	-470.033567
Energy at 298.15K	-470.037657
HF Energy	-470.033567
Nuclear repulsion energy	159.849701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3854	3799	0.00
2	A'	680	670	0.00
3	A'	626	617	0.00
4	A"	315	311	442.96
5	A"	273	269	1.31
6	E'	3854	3798	87.82
6	E'	3854	3798	87.83
7	E'	901	888	172.18
7	E'	901	888	172.21
8	E'	645	636	217.66
8	E'	645	636	217.59
9	E'	216	213	31.26
9	E'	216	213	31.26
10	E"	352	347	0.00
10	E"	352	347	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.718
O3	-1.488	-0.859
O4	1.488	-0.859
H5	-0.815	2.229
H6	-1.523	-1.820
H7	2.337	-0.409

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7181	1.7181	1.7181	2.3728	2.3728	2.3728
O2	1.7181		2.9759	2.9759	0.9613	3.8516	3.1603
O3	1.7181	2.9759		2.9759	3.1603	0.9613	3.8516
O4	1.7181	2.9759	2.9759		3.8516	3.1603	0.9613
H5	2.3728	0.9613	3.1603	3.8516		4.1099	4.1099
H6	2.3728	3.8516	0.9613	3.1603	4.1099		4.1099
H7	2.3728	3.1603	3.8516	0.9613	4.1099	4.1099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	122.080	Al1	O3	H6	122.080
Al1	O4	H7	122.081	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/TZVP

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	0.855
2	O	-0.578
3	O	-0.578
4	O	-0.578
5	H	0.293
6	H	0.293
7	H	0.293

	x	y	z
x	5.075	0.001	0.000
y	0.001	5.077	0.000
z	0.000	0.000	3.739

<r²>	105.155
(<r²>)^1/2	10.255

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

using model chemistry: B97D3/TZVP

States and conformations

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