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	hartrees
Energy at 0K	-469.992577
Energy at 298.15K	-469.996827
HF Energy	-469.992577
Nuclear repulsion energy	159.883618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3958	3771	0.00
2	A'	712	678	0.00
3	A'	653	622	0.00
4	A"	332	317	423.88
5	A"	289	275	0.66
6	E'	3957	3769	132.20
6	E'	3957	3769	132.24
7	E'	959	913	134.65
7	E'	959	913	134.60
8	E'	678	646	204.39
8	E'	678	646	204.34
9	E'	223	213	29.44
9	E'	223	213	29.44
10	E"	360	343	0.00
10	E"	360	343	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.719
O3	-1.489	-0.859
O4	1.489	-0.859
H5	-0.824	2.211
H6	-1.503	-1.819
H7	2.327	-0.392

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7190	1.7190	1.7190	2.3597	2.3597	2.3597
O2	1.7190		2.9773	2.9773	0.9601	3.8442	3.1415
O3	1.7190	2.9773		2.9773	3.1415	0.9601	3.8442
O4	1.7190	2.9773	2.9773		3.8442	3.1415	0.9601
H5	2.3597	0.9601	3.1415	3.8442		4.0871	4.0871
H6	2.3597	3.8442	0.9601	3.1415	4.0871		4.0871
H7	2.3597	3.1415	3.8442	0.9601	4.0871	4.0871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.829	Al1	O3	H6	120.829
Al1	O4	H7	120.829	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: wB97X-D/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	0.782
2	O	-0.439
3	O	-0.439
4	O	-0.439
5	H	0.179
6	H	0.179
7	H	0.179

	x	y	z
x	4.465	-0.000	0.000
y	-0.000	4.463	0.000
z	0.000	0.000	3.156

<r²>	104.624
(<r²>)^1/2	10.229

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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