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	hartrees
Energy at 0K	-250.998792
Energy at 298.15K	-251.003358
Nuclear repulsion energy	114.726136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3663	3498	0.00
2	A'	995	950	0.00
3	A'	888	848	0.00
4	A"	649	619	207.79
5	A"	433	414	419.73
6	E'	3665	3500	61.46
6	E'	3665	3500	61.49
7	E'	1532	1463	347.56
7	E'	1532	1463	347.51
8	E'	996	951	258.38
8	E'	996	951	258.40
9	E'	411	392	37.88
9	E'	411	392	37.88
10	E"	518	494	0.00
10	E"	518	494	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	-0.891	1.794
H6	-1.108	-1.669
H7	2.000	-0.125

	B1	O2	O3	O4	H5	H6	H7
B1		1.3821	1.3821	1.3821	2.0036	2.0036	2.0036
O2	1.3821		2.3938	2.3938	0.9820	3.2462	2.5042
O3	1.3821	2.3938		2.3938	2.5042	0.9820	3.2462
O4	1.3821	2.3938	2.3938		3.2462	2.5042	0.9820
H5	2.0036	0.9820	2.5042	3.2462		3.4703	3.4703
H6	2.0036	3.2462	0.9820	2.5042	3.4703		3.4703
H7	2.0036	2.5042	3.2462	0.9820	3.4703	3.4703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	114.828	B1	O3	H6	114.828
B1	O4	H7	114.828	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: B1B95/3-21G*

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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Number	Element	Mulliken
1	B	0.739
2	O	-0.630
3	O	-0.630
4	O	-0.630
5	H	0.384
6	H	0.384
7	H	0.384

	x	y	z
x	3.257	-0.000	0.000
y	-0.000	3.256	0.000
z	0.000	0.000	1.243

<r²>	70.648
(<r²>)^1/2	8.405

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

using model chemistry: B1B95/3-21G*

States and conformations

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