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	hartrees
Energy at 0K	-469.650911
Energy at 298.15K	-469.654862
HF Energy	-469.650911
Nuclear repulsion energy	159.689980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3668	0.00
2	A'	696	685	0.00
3	A'	649	638	0.00
4	A"	275	271	250.53
5	A"	237	233	158.71
6	E'	3730	3668	66.87
6	E'	3730	3668	66.87
7	E'	917	901	123.41
7	E'	917	901	123.41
8	E'	704	693	210.39
8	E'	704	693	210.39
9	E'	217	213	28.02
9	E'	217	213	28.02
10	E"	315	310	0.00
10	E"	315	310	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.722
O3	-1.491	-0.861
O4	1.491	-0.861
H5	-0.871	2.158
H6	-1.434	-1.833
H7	2.304	-0.325

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7218	1.7218	1.7218	2.3273	2.3273	2.3273
O2	1.7218		2.9823	2.9823	0.9741	3.8333	3.0822
O3	1.7218	2.9823		2.9823	3.0822	0.9741	3.8333
O4	1.7218	2.9823	2.9823		3.8333	3.0822	0.9741
H5	2.3273	0.9741	3.0822	3.8333		4.0309	4.0309
H6	2.3273	3.8333	0.9741	3.0822	4.0309		4.0309
H7	2.3273	3.0822	3.8333	0.9741	4.0309	4.0309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	116.613	Al1	O3	H6	116.613
Al1	O4	H7	116.613	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: PBEPBEultrafine/6-31G*

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	0.893
2	O	-0.710
3	O	-0.710
4	O	-0.710
5	H	0.413
6	H	0.413
7	H	0.413

<r²>	104.565
(<r²>)^1/2	10.226

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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