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	hartrees
Energy at 0K	-252.630633
Energy at 298.15K	-252.635313
Nuclear repulsion energy	116.195634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3740	0.00
2	A'	1023	991	0.00
3	A'	876	849	0.00
4	A"	673	652	83.15
5	A"	450	436	301.74
6	E'	3859	3739	106.83
6	E'	3859	3739	106.82
7	E'	1441	1396	428.22
7	E'	1441	1396	428.18
8	E'	1017	985	171.25
8	E'	1017	985	171.23
9	E'	430	417	28.58
9	E'	430	417	28.59
10	E"	537	520	0.00
10	E"	537	520	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.369
O3	-1.185	-0.684
O4	1.185	-0.684
H5	-0.883	1.745
H6	-1.069	-1.637
H7	1.952	-0.108

	B1	O2	O3	O4	H5	H6	H7
B1		1.3685	1.3685	1.3685	1.9553	1.9553	1.9553
O2	1.3685		2.3704	2.3704	0.9598	3.1901	2.4476
O3	1.3685	2.3704		2.3704	2.4476	0.9598	3.1901
O4	1.3685	2.3704	2.3704		3.1901	2.4476	0.9598
H5	1.9553	0.9598	2.4476	3.1901		3.3868	3.3868
H6	1.9553	3.1901	0.9598	2.4476	3.3868		3.3868
H7	1.9553	2.4476	3.1901	0.9598	3.3868	3.3868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	113.070	B1	O3	H6	113.070
B1	O4	H7	113.070	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/aug-cc-pVQZ

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	1.584
2	O	-0.846
3	O	-0.846
4	O	-0.846
5	H	0.318
6	H	0.318
7	H	0.318

<r²>	70.098
(<r²>)^1/2	8.372

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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