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	hartrees
Energy at 0K	-252.411628
Energy at 298.15K	-252.416279
Nuclear repulsion energy	116.458431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3905	3754	0.00
2	A'	1026	986	0.00
3	A'	885	850	0.00
4	A"	673	647	80.45
5	A"	436	419	303.27
6	E'	3904	3753	95.71
6	E'	3904	3753	95.71
7	E'	1478	1421	363.87
7	E'	1478	1421	363.92
8	E'	1026	986	174.60
8	E'	1026	986	174.59
9	E'	425	409	27.05
9	E'	425	409	27.05
10	E"	533	513	0.00
10	E"	533	513	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.366
O3	-1.183	-0.683
O4	1.183	-0.683
H5	-0.891	1.721
H6	-1.044	-1.632
H7	1.936	-0.088

	B1	O2	O3	O4	H5	H6	H7
B1		1.3664	1.3664	1.3664	1.9377	1.9377	1.9377
O2	1.3664		2.3667	2.3667	0.9592	3.1753	2.4214
O3	1.3664	2.3667		2.3667	2.4214	0.9592	3.1753
O4	1.3664	2.3667	2.3667		3.1753	2.4214	0.9592
H5	1.9377	0.9592	2.4214	3.1753		3.3563	3.3563
H6	1.9377	3.1753	0.9592	2.4214	3.3563		3.3563
H7	1.9377	2.4214	3.1753	0.9592	3.3563	3.3563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	111.665	B1	O3	H6	111.665
B1	O4	H7	111.665	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: B3PW91/6-31G(2df,p)

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	0.095
2	O	-0.354
3	O	-0.354
4	O	-0.354
5	H	0.322
6	H	0.322
7	H	0.322

<r²>	68.978
(<r²>)^1/2	8.305

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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