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	hartrees
Energy at 0K	-470.014175
Energy at 298.15K	-470.018396
HF Energy	-470.014175
Nuclear repulsion energy	160.046414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3929	3776	0.00
2	A'	707	680	0.00
3	A'	652	626	0.00
4	A"	325	312	399.52
5	A"	283	272	5.29
6	E'	3927	3775	128.71
6	E'	3927	3775	128.70
7	E'	944	908	125.78
7	E'	944	908	125.64
8	E'	683	657	199.43
8	E'	683	657	199.14
9	E'	222	213	27.80
9	E'	222	213	27.80
10	E"	359	345	0.00
10	E"	359	345	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.718
O3	-1.487	-0.859
O4	1.487	-0.859
H5	-0.832	2.198
H6	-1.488	-1.819
H7	2.319	-0.379

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7176	1.7176	1.7176	2.3501	2.3501	2.3501
O2	1.7176		2.9749	2.9749	0.9604	3.8369	3.1264
O3	1.7176	2.9749		2.9749	3.1264	0.9604	3.8369
O4	1.7176	2.9749	2.9749		3.8369	3.1264	0.9604
H5	2.3501	0.9604	3.1264	3.8369		4.0704	4.0704
H6	2.3501	3.8369	0.9604	3.1264	4.0704		4.0704
H7	2.3501	3.1264	3.8369	0.9604	4.0704	4.0704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	120.017	Al1	O3	H6	120.017
Al1	O4	H7	120.017	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: B1B95/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	0.733
2	O	-0.420
3	O	-0.420
4	O	-0.420
5	H	0.176
6	H	0.176
7	H	0.176

	x	y	z
x	4.570	-0.003	0.000
y	-0.003	4.568	0.000
z	0.000	0.000	3.249

<r²>	104.331
(<r²>)^1/2	10.214

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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