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	hartrees
Energy at 0K	-251.017188
Energy at 298.15K	-251.021815
HF Energy	-251.017188
Nuclear repulsion energy	114.600523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3521	0.00
2	A'	1008	955	0.01
3	A'	886	840	0.00
4	A"	661	626	241.47
5	A"	450	426	412.66
6	E'	3717	3523	71.00
6	E'	3717	3523	71.05
7	E'	1537	1457	357.81
7	E'	1537	1457	357.90
8	E'	1008	955	265.40
8	E'	1008	955	265.43
9	E'	419	397	37.88
9	E'	419	397	37.87
10	E"	531	503	0.00
10	E"	531	503	0.00

Atom	x (Å)	y (Å)
B1	0.000	0.000
O2	0.000	1.387
O3	-1.201	-0.693
O4	1.201	-0.693
H5	-0.898	1.783
H6	-1.096	-1.669
H7	1.993	-0.114

	B1	O2	O3	O4	H5	H6	H7
B1		1.3868	1.3868	1.3868	1.9967	1.9967	1.9967
O2	1.3868		2.4019	2.4019	0.9816	3.2465	2.4953
O3	1.3868	2.4019		2.4020	2.4953	0.9816	3.2465
O4	1.3868	2.4019	2.4020		3.2465	2.4953	0.9816
H5	1.9967	0.9816	2.4953	3.2465		3.4583	3.4583
H6	1.9967	3.2465	0.9816	2.4953	3.4583		3.4583
H7	1.9967	2.4953	3.2465	0.9816	3.4583	3.4583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	O2	H5	113.834	B1	O3	H6	113.834
B1	O4	H7	113.834	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: wB97X-D/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	0.760
2	O	-0.641
3	O	-0.641
4	O	-0.641
5	H	0.388
6	H	0.388
7	H	0.388

	x	y	z
x	3.148	-0.000	0.000
y	-0.000	3.149	0.000
z	0.000	0.000	1.225

<r²>	70.804
(<r²>)^1/2	8.415

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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