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	hartrees
Energy at 0K	-251.021793
Energy at 298.15K	-251.026357
Nuclear repulsion energy	114.571102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3672	3487	0.00
2	A'	1004	953	0.02
3	A'	887	842	0.00
4	A"	653	620	203.34
5	A"	428	406	426.28
6	E'	3674	3489	63.15
6	E'	3674	3489	63.18
7	E'	1533	1456	340.99
7	E'	1533	1456	340.99
8	E'	1004	953	258.69
8	E'	1004	953	258.66
9	E'	414	393	37.18
9	E'	414	393	37.18
10	E"	512	486	0.00
10	E"	512	486	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.384
O3	-1.199	-0.692
O4	1.199	-0.692
H5	-0.893	1.794
H6	-1.107	-1.671
H7	2.000	-0.123

	B1	O2	O3	O4	H5	H6	H7
B1		1.3843	1.3843	1.3843	2.0041	2.0041	2.0041
O2	1.3843		2.3976	2.3976	0.9827	3.2492	2.5049
O3	1.3843	2.3976		2.3976	2.5049	0.9827	3.2492
O4	1.3843	2.3976	2.3976		3.2492	2.5049	0.9827
H5	2.0041	0.9827	2.5049	3.2492		3.4712	3.4712
H6	2.0041	3.2492	0.9827	2.5049	3.4712		3.4712
H7	2.0041	2.5049	3.2492	0.9827	3.4712	3.4712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	114.644	B1	O3	H6	114.644
B1	O4	H7	114.644	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: mPW1PW91/3-21G*

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	0.751
2	O	-0.636
3	O	-0.636
4	O	-0.636
5	H	0.385
6	H	0.385
7	H	0.385

<r²>	70.833
(<r²>)^1/2	8.416

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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