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	hartrees
Energy at 0K	-252.373878
Energy at 298.15K	-252.378510
Nuclear repulsion energy	116.110374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3838	3672	0.00
2	A'	1041	996	0.00
3	A'	880	842	0.00
4	A"	666	638	102.58
5	A"	431	412	360.11
6	E'	3838	3672	85.27
6	E'	3838	3672	85.27
7	E'	1485	1421	412.77
7	E'	1485	1421	412.79
8	E'	1036	992	185.46
8	E'	1036	992	185.45
9	E'	425	407	30.82
9	E'	425	407	30.81
10	E"	539	515	0.00
10	E"	539	515	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.371
O3	-1.187	-0.685
O4	1.187	-0.685
H5	-0.903	1.712
H6	-1.031	-1.638
H7	1.934	-0.074

	B1	O2	O3	O4	H5	H6	H7
B1		1.3706	1.3706	1.3706	1.9357	1.9357	1.9357
O2	1.3706		2.3740	2.3740	0.9655	3.1806	2.4142
O3	1.3706	2.3740		2.3740	2.4142	0.9655	3.1806
O4	1.3706	2.3740	2.3740		3.1806	2.4142	0.9655
H5	1.9357	0.9655	2.4142	3.1806		3.3528	3.3528
H6	1.9357	3.1806	0.9655	2.4142	3.3528		3.3528
H7	1.9357	2.4142	3.1806	0.9655	3.3528	3.3528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	110.718	B1	O3	H6	110.718
B1	O4	H7	110.718	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*

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	0.539
2	O	-0.604
3	O	-0.604
4	O	-0.604
5	H	0.424
6	H	0.424
7	H	0.424

<r²>	69.323
(<r²>)^1/2	8.326

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

using model chemistry: B3PW91/6-31G*

States and conformations

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