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	hartrees
Energy at 0K	-252.306504
Energy at 298.15K	-252.311173
Nuclear repulsion energy	115.205230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3636	0.00
2	A'	980	934	0.00
3	A'	862	822	0.00
4	A"	659	629	280.21
5	A"	496	473	436.10
6	E'	3813	3637	88.83
6	E'	3813	3637	88.84
7	E'	1465	1397	393.98
7	E'	1465	1397	393.87
8	E'	972	927	280.51
8	E'	972	927	280.53
9	E'	408	389	40.73
9	E'	408	389	40.73
10	E"	570	544	0.00
10	E"	570	544	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.377
O3	-1.192	-0.688
O4	1.192	-0.688
H5	-0.859	1.821
H6	-1.148	-1.654
H7	2.006	-0.167

	B1	O2	O3	O4	H5	H6	H7
B1		1.3767	1.3767	1.3767	2.0132	2.0132	2.0132
O2	1.3767		2.3845	2.3845	0.9668	3.2408	2.5313
O3	1.3767	2.3845		2.3845	2.5313	0.9668	3.2408
O4	1.3767	2.3845	2.3845		3.2408	2.5313	0.9668
H5	2.0132	0.9668	2.5313	3.2408		3.4870	3.4870
H6	2.0132	3.2408	0.9668	2.5313	3.4870		3.4870
H7	2.0132	2.5313	3.2408	0.9668	3.4870	3.4870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	117.350	B1	O3	H6	117.350
B1	O4	H7	117.350	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: B1B95/6-31G

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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Number	Element	Mulliken
1	B	0.742
2	O	-0.652
3	O	-0.652
4	O	-0.652
5	H	0.405
6	H	0.405
7	H	0.405

	x	y	z
x	3.417	-0.000	0.000
y	-0.000	3.417	0.000
z	0.000	0.000	1.459

<r²>	70.721
(<r²>)^1/2	8.410

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

using model chemistry: B1B95/6-31G

States and conformations

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