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	hartrees
Energy at 0K	-469.734644
Energy at 298.15K	-469.738745
HF Energy	-469.734644
Nuclear repulsion energy	158.480063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3792	0.00
2	A'	699	699	0.00
3	A'	621	621	0.00
4	A"	306	306	306.13
5	A"	273	273	9.04
6	E'	3791	3791	87.14
6	E'	3791	3791	87.13
7	E'	877	877	139.05
7	E'	877	877	139.04
8	E'	685	685	185.01
8	E'	685	685	185.01
9	E'	207	207	26.68
9	E'	207	207	26.68
10	E"	352	352	0.00
10	E"	352	352	0.00

Atom	x (Å)	y (Å)
Al1	0.000	0.000
O2	0.000	1.735
O3	-1.503	-0.868
O4	1.503	-0.868
H5	-0.847	2.207
H6	-1.487	-1.837
H7	2.335	-0.370

	Al1	O2	O3	O4	H5	H6	H7
Al1		1.7354	1.7354	1.7354	2.3638	2.3638	2.3638
O2	1.7354		3.0058	3.0058	0.9696	3.8698	3.1436
O3	1.7354	3.0058		3.0058	3.1436	0.9696	3.8698
O4	1.7354	3.0058	3.0058		3.8698	3.1436	0.9696
H5	2.3638	0.9696	3.1436	3.8698		4.0943	4.0943
H6	2.3638	3.8698	0.9696	3.1436	4.0943		4.0943
H7	2.3638	3.1436	3.8698	0.9696	4.0943	4.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Al1	O2	H5	119.089	Al1	O3	H6	119.089
Al1	O4	H7	119.089	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/daug-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	-0.903
2	O	0.063
3	O	0.063
4	O	0.063
5	H	0.238
6	H	0.238
7	H	0.238

<r²>	107.015
(<r²>)^1/2	10.345

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

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