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	hartrees
Energy at 0K	-252.550318
Energy at 298.15K	-252.554860
Nuclear repulsion energy	115.094649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3707	0.00
2	A'	1004	1001	0.00
3	A'	849	846	0.00
4	A"	638	637	51.64
5	A"	411	410	309.92
6	E'	3719	3708	70.08
6	E'	3719	3708	70.09
7	E'	1404	1399	354.35
7	E'	1404	1399	354.31
8	E'	996	993	171.01
8	E'	996	993	171.02
9	E'	416	415	26.00
9	E'	416	415	26.00
10	E"	507	505	0.00
10	E"	507	505	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.382
O3	-1.197	-0.691
O4	1.197	-0.691
H5	-0.899	1.748
H6	-1.064	-1.652
H7	1.963	-0.096

	B1	O2	O3	O4	H5	H6	H7
B1		1.3822	1.3822	1.3822	1.9655	1.9655	1.9655
O2	1.3822		2.3940	2.3940	0.9704	3.2158	2.4572
O3	1.3822	2.3940		2.3940	2.4572	0.9704	3.2158
O4	1.3822	2.3940	2.3940		3.2158	2.4572	0.9704
H5	1.9655	0.9704	2.4572	3.2158		3.4044	3.4044
H6	1.9655	3.2158	0.9704	2.4572	3.4044		3.4044
H7	1.9655	2.4572	3.2158	0.9704	3.4044	3.4044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	112.148	B1	O3	H6	112.148
B1	O4	H7	112.148	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: BLYP/cc-pVTZ

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	0.226
2	O	-0.291
3	O	-0.291
4	O	-0.291
5	H	0.216
6	H	0.216
7	H	0.216

<r²>	70.969
(<r²>)^1/2	8.424

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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