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	hartrees
Energy at 0K	-467.484439
Energy at 298.15K	-467.488497
HF Energy	-467.484439
Nuclear repulsion energy	161.862460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3739	3551	0.00
2	A'	755	717	0.00
3	A'	573	545	0.00
4	A"	322	305	498.85
5	A"	259	246	83.15
6	E'	3740	3551	57.05
6	E'	3740	3551	57.05
7	E'	1026	974	106.88
7	E'	1026	974	106.88
8	E'	584	555	303.98
8	E'	584	555	303.98
9	E'	249	236	34.32
9	E'	249	236	34.32
10	E"	322	306	0.00
10	E"	322	306	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.688
O3	-1.462	-0.844
O4	1.462	-0.844
H5	-0.789	2.264
H6	-1.567	-1.815
H7	2.355	-0.449

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6879	1.6879	1.6879	2.3978	2.3978	2.3978
O2	1.6879		2.9235	2.9235	0.9769	3.8374	3.1804
O3	1.6879	2.9235		2.9235	3.1804	0.9769	3.8374
O4	1.6879	2.9235	2.9235		3.8374	3.1804	0.9769
H5	2.3978	0.9769	3.1804	3.8374		4.1531	4.1531
H6	2.3978	3.8374	0.9769	3.1804	4.1531		4.1531
H7	2.3978	3.1804	3.8374	0.9769	4.1531	4.1531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	126.166	Al1	O3	H6	126.166
Al1	O4	H7	126.166	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: mPW1PW91/3-21G*

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	0.863
2	O	-0.670
3	O	-0.670
4	O	-0.670
5	H	0.382
6	H	0.382
7	H	0.382

<r²>	101.711
(<r²>)^1/2	10.085

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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