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	hartrees
Energy at 0K	-252.513757
Energy at 298.15K	-252.518405
Nuclear repulsion energy	116.342360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3737	0.00
2	A'	1028	992	0.00
3	A'	883	852	0.00
4	A"	672	648	82.14
5	A"	434	419	301.49
6	E'	3871	3736	87.67
6	E'	3871	3736	87.66
7	E'	1471	1420	363.71
7	E'	1471	1419	363.75
8	E'	1026	990	175.44
8	E'	1026	990	175.44
9	E'	427	413	26.09
9	E'	427	413	26.09
10	E"	531	512	0.00
10	E"	531	512	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.367
O3	-1.184	-0.684
O4	1.184	-0.684
H5	-0.890	1.729
H6	-1.053	-1.635
H7	1.943	-0.094

	B1	O2	O3	O4	H5	H6	H7
B1		1.3672	1.3672	1.3672	1.9449	1.9449	1.9449
O2	1.3672		2.3680	2.3680	0.9607	3.1817	2.4309
O3	1.3672	2.3680		2.3680	2.4309	0.9607	3.1817
O4	1.3672	2.3680	2.3680		3.1817	2.4309	0.9607
H5	1.9449	0.9607	2.4309	3.1817		3.3686	3.3686
H6	1.9449	3.1817	0.9607	2.4309	3.3686		3.3686
H7	1.9449	2.4309	3.1817	0.9607	3.3686	3.3686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	112.153	B1	O3	H6	112.153
B1	O4	H7	112.153	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/6-31G(2df,p)

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	0.058
2	O	-0.326
3	O	-0.326
4	O	-0.326
5	H	0.307
6	H	0.307
7	H	0.307

<r²>	69.175
(<r²>)^1/2	8.317

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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