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	hartrees
Energy at 0K	-252.528962
Energy at 298.15K	-252.533633
Nuclear repulsion energy	116.486635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3921	3761	0.00
2	A'	1028	986	0.00
3	A'	888	852	0.00
4	A"	674	647	79.09
5	A"	437	419	316.82
6	E'	3920	3760	107.07
6	E'	3920	3760	107.07
7	E'	1475	1415	399.03
7	E'	1475	1415	399.06
8	E'	1026	984	172.76
8	E'	1026	984	172.75
9	E'	430	412	29.14
9	E'	430	412	29.14
10	E"	529	507	0.00
10	E"	529	507	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.366
O3	-1.183	-0.683
O4	1.183	-0.683
H5	-0.887	1.726
H6	-1.051	-1.631
H7	1.938	-0.095

	B1	O2	O3	O4	H5	H6	H7
B1		1.3661	1.3661	1.3661	1.9406	1.9406	1.9406
O2	1.3661		2.3661	2.3661	0.9571	3.1762	2.4273
O3	1.3661	2.3661		2.3661	2.4273	0.9571	3.1762
O4	1.3661	2.3661	2.3661		3.1762	2.4273	0.9571
H5	1.9406	0.9571	2.4273	3.1762		3.3612	3.3612
H6	1.9406	3.1762	0.9571	2.4273	3.3612		3.3612
H7	1.9406	2.4273	3.1762	0.9571	3.3612	3.3612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	112.094	B1	O3	H6	112.094
B1	O4	H7	112.094	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/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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Number	Element	Mulliken
1	B	0.188
2	O	-0.277
3	O	-0.277
4	O	-0.277
5	H	0.214
6	H	0.214
7	H	0.214

<r²>	69.354
(<r²>)^1/2	8.328

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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