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	hartrees
Energy at 0K	-251.202763
Energy at 298.15K	-251.207617
Nuclear repulsion energy	117.333845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4218	3807	0.00
2	A'	1110	1002	0.00
3	A'	931	840	0.00
4	A"	737	665	208.59
5	A"	474	428	372.34
6	E'	4215	3805	153.57
6	E'	4215	3805	153.57
7	E'	1562	1409	539.79
7	E'	1562	1409	539.79
8	E'	1104	997	197.62
8	E'	1104	997	197.62
9	E'	461	416	33.34
9	E'	461	416	33.34
10	E"	561	507	0.00
10	E"	561	507	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.357
O3	-1.175	-0.679
O4	1.175	-0.679
H5	-0.867	1.726
H6	-1.061	-1.614
H7	1.928	-0.112

	B1	O2	O3	O4	H5	H6	H7
B1		1.3572	1.3572	1.3572	1.9317	1.9317	1.9317
O2	1.3572		2.3507	2.3507	0.9424	3.1551	2.4244
O3	1.3572	2.3507		2.3507	2.4244	0.9424	3.1551
O4	1.3572	2.3507	2.3507		3.1551	2.4244	0.9424
H5	1.9317	0.9424	2.4244	3.1551		3.3458	3.3458
H6	1.9317	3.1551	0.9424	2.4244	3.3458		3.3458
H7	1.9317	2.4244	3.1551	0.9424	3.3458	3.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	113.045	B1	O3	H6	113.045
B1	O4	H7	113.045	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: HF/6-31G**

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	0.784
2	O	-0.613
3	O	-0.613
4	O	-0.613
5	H	0.352
6	H	0.352
7	H	0.352

<r²>	68.463
(<r²>)^1/2	8.274

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

using model chemistry: HF/6-31G**

States and conformations

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