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	hartrees
Energy at 0K	-469.826867
Energy at 298.15K	-469.831093
HF Energy	-469.603110
Nuclear repulsion energy	159.707022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3918	3918	6.09
2	A'	703	703	0.06
3	A'	640	640	0.07
4	A"	331	331	364.98
5	A"	286	286	5.73
6	E'	3918	3918	107.29
6	E'	3917	3917	113.09
7	E'	907	907	160.09
7	E'	907	907	159.74
8	E'	681	681	209.94
8	E'	680	680	209.41
9	E'	218	218	30.29
9	E'	218	218	30.00
10	E"	366	366	0.11
10	E"	364	364	1.37

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.721
O3	-1.490	-0.860
O4	1.490	-0.860
H5	-0.819	2.222
H6	-1.515	-1.820
H7	2.334	-0.402

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7206	1.7206	1.7206	2.3680	2.3680	2.3680
O2	1.7206		2.9801	2.9801	0.9601	3.8511	3.1544
O3	1.7206	2.9801		2.9801	3.1544	0.9601	3.8511
O4	1.7206	2.9801	2.9801		3.8511	3.1544	0.9601
H5	2.3680	0.9601	3.1544	3.8511		4.1014	4.1014
H6	2.3680	3.8511	0.9601	3.1544	4.1014		4.1014
H7	2.3680	3.1544	3.8511	0.9601	4.1014	4.1014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	121.476	Al1	O3	H6	121.476
Al1	O4	H7	121.476	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: B2PLYP/daug-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	-0.653
2	O	-0.005
3	O	-0.005
4	O	-0.005
5	H	0.223
6	H	0.222
7	H	0.222

	x	y	z
x	5.800	0.000	-0.000
y	0.000	5.800	-0.000
z	-0.000	-0.000	4.852

<r²>	105.788
(<r²>)^1/2	10.285

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

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

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