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	hartrees
Energy at 0K	-250.991377
Energy at 298.15K	-250.995913
Nuclear repulsion energy	114.377621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3643	3495	0.00
2	A'	998	958	0.00
3	A'	880	844	0.00
4	A"	646	620	184.05
5	A"	421	404	431.00
6	E'	3645	3497	54.76
6	E'	3645	3497	54.77
7	E'	1521	1460	331.06
7	E'	1521	1460	331.06
8	E'	997	957	257.30
8	E'	997	957	257.30
9	E'	412	395	36.55
9	E'	412	395	36.55
10	E"	506	486	0.00
10	E"	506	486	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.387
O3	-1.201	-0.693
O4	1.201	-0.693
H5	-0.896	1.795
H6	-1.107	-1.673
H7	2.003	-0.122

	B1	O2	O3	O4	H5	H6	H7
B1		1.3867	1.3867	1.3867	2.0062	2.0062	2.0062
O2	1.3867		2.4018	2.4018	0.9846	3.2540	2.5070
O3	1.3867	2.4018		2.4018	2.5070	0.9846	3.2540
O4	1.3867	2.4018	2.4018		3.2540	2.5070	0.9846
H5	2.0062	0.9846	2.5070	3.2540		3.4749	3.4749
H6	2.0062	3.2540	0.9846	2.5070	3.4749		3.4749
H7	2.0062	2.5070	3.2540	0.9846	3.4749	3.4749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	114.503	B1	O3	H6	114.503
B1	O4	H7	114.502	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: B3PW91/3-21G*

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	0.730
2	O	-0.626
3	O	-0.626
4	O	-0.626
5	H	0.382
6	H	0.382
7	H	0.382

<r²>	71.013
(<r²>)^1/2	8.427

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

using model chemistry: B3PW91/3-21G*

States and conformations

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