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	hartrees
Energy at 0K	-470.217364
Energy at 298.15K	-470.221546
HF Energy	-470.217364
Nuclear repulsion energy	162.146921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3924	3924	0.00
2	A'	709	709	0.00
3	A'	631	631	0.00
4	A"	323	323	384.45
5	A"	286	286	1.70
6	E'	3922	3922	112.33
6	E'	3922	3922	112.32
7	E'	940	940	156.28
7	E'	940	940	156.26
8	E'	642	642	218.24
8	E'	642	642	218.27
9	E'	224	224	29.00
9	E'	224	224	29.01
10	E"	356	356	0.00
10	E"	356	356	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.691
O3	-1.464	-0.845
O4	1.464	-0.845
H5	-0.800	2.216
H6	-1.519	-1.801
H7	2.319	-0.415

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6909	1.6909	1.6909	2.3555	2.3556	2.3555
O2	1.6909		2.9288	2.9288	0.9567	3.8075	3.1323
O3	1.6909	2.9288		2.9288	3.1323	0.9567	3.8075
O4	1.6909	2.9288	2.9288		3.8075	3.1323	0.9567
H5	2.3555	0.9567	3.1323	3.8075		4.0799	4.0799
H6	2.3556	3.8075	0.9567	3.1323	4.0799		4.0799
H7	2.3555	3.1323	3.8075	0.9567	4.0799	4.0799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	123.253	Al1	O3	H6	123.253
Al1	O4	H7	123.253	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: B3LYPultrafine/cc-pV(T+d)Z

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	-0.424
3	O	-0.424
4	O	-0.424
5	H	0.199
6	H	0.199
7	H	0.199

<r²>	102.352
(<r²>)^1/2	10.117

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

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

States and conformations

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