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	hartrees
Energy at 0K	-252.604727
Energy at 298.15K	-252.609378
Nuclear repulsion energy	116.092762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3730	0.00
2	A'	1026	992	0.00
3	A'	879	849	0.00
4	A"	668	646	77.33
5	A"	433	419	319.06
6	E'	3858	3729	99.58
6	E'	3858	3729	99.58
7	E'	1453	1405	394.86
7	E'	1453	1405	394.83
8	E'	1021	987	175.19
8	E'	1021	987	175.19
9	E'	430	415	28.13
9	E'	430	415	28.13
10	E"	524	506	0.00
10	E"	524	506	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.370
O3	-1.187	-0.685
O4	1.187	-0.685
H5	-0.888	1.738
H6	-1.061	-1.638
H7	1.949	-0.100

	B1	O2	O3	O4	H5	H6	H7
B1		1.3702	1.3702	1.3702	1.9516	1.9516	1.9516
O2	1.3702		2.3733	2.3733	0.9608	3.1897	2.4415
O3	1.3702	2.3733		2.3733	2.4415	0.9608	3.1897
O4	1.3702	2.3733	2.3733		3.1897	2.4415	0.9608
H5	1.9516	0.9608	2.4415	3.1897		3.3802	3.3802
H6	1.9516	3.1897	0.9608	2.4415	3.3802		3.3802
H7	1.9516	2.4415	3.1897	0.9608	3.3802	3.3802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	112.509	B1	O3	H6	112.509
B1	O4	H7	112.509	O2	B1	O3	120.000
O2	B1	O4	120.000	O3	B1	O4	120.000

All results from a given calculation for H₃BO₃ (Boric acid)

using model chemistry: B3LYP/cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	0.234
2	O	-0.299
3	O	-0.299
4	O	-0.299
5	H	0.221
6	H	0.221
7	H	0.221

<r²>	69.891
(<r²>)^1/2	8.360

All results from a given calculation for H3BO3 (Boric acid)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for H₃BO₃ (Boric acid)