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	hartrees
Energy at 0K	-470.066511
Energy at 298.15K	-470.070394
HF Energy	-470.066511
Nuclear repulsion energy	160.767477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3999	3844	0.00
2	A'	726	698	0.00
3	A'	434	417	0.00
4	A"	410	394	836.97
5	A"	283	272	20.15
6	E'	3998	3843	144.04
6	E'	3998	3843	144.03
7	E'	968	930	165.35
7	E'	968	930	165.33
8	E'	428	412	363.22
8	E'	428	412	363.19
9	E'	238	229	53.44
9	E'	238	229	53.44
10	E"	375	361	0.00
10	E"	375	361	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.694
O3	-1.467	-0.847
O4	1.467	-0.847
H5	-0.554	2.478
H6	-1.868	-1.719
H7	2.423	-0.759

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.6939	1.6939	1.6939	2.5388	2.5388	2.5388
O2	1.6939		2.9339	2.9339	0.9599	3.8908	3.4475
O3	1.6939	2.9339		2.9339	3.4475	0.9599	3.8908
O4	1.6939	2.9339	2.9339		3.8908	3.4475	0.9599
H5	2.5388	0.9599	3.4475	3.8908		4.3973	4.3973
H6	2.5388	3.8908	0.9599	3.4475	4.3973		4.3973
H7	2.5388	3.4475	3.8908	0.9599	4.3973	4.3973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	144.726	Al1	O3	H6	144.726
Al1	O4	H7	144.726	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: B3LYP/SDD

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	1.634
2	O	-0.935
3	O	-0.935
4	O	-0.935
5	H	0.390
6	H	0.390
7	H	0.390

<r²>	104.609
(<r²>)^1/2	10.228

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

using model chemistry: B3LYP/SDD

States and conformations

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