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	hartrees
Energy at 0K	-635.778139
Energy at 298.15K
HF Energy	-635.778139
Nuclear repulsion energy	255.113163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3470	3210	67.99
2	A	1291	1195	38.38
3	A	1091	1009	17.44
4	A	637	590	2.58
5	A	290	268	5.25
6	A	158	146	15.45
7	E	3467	3208	27.45
7	E	3467	3208	27.45
8	E	1229	1138	21.59
8	E	1229	1138	21.58
9	E	733	678	127.28
9	E	733	678	127.28
10	E	276	256	4.77
10	E	276	256	4.77
11	E	233	216	40.67
11	E	233	216	40.67
12	E	24i	23i	27.65
12	E	24i	23i	27.65

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.178
O2	0.000	0.000	1.755
O3	0.000	1.554	-0.699
O4	1.346	-0.777	-0.699
O5	-1.346	-0.777	-0.699
H6	0.445	2.176	0.018
H7	1.662	-1.473	0.018
H8	-2.107	-0.703	0.018

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5766	1.7843	1.7843	1.7843	2.2267	2.2267	2.2267
O2	1.5766		2.9043	2.9043	2.9043	2.8192	2.8192	2.8192
O3	1.7843	2.9043		2.6914	2.6914	1.0484	3.5269	3.1695
O4	1.7843	2.9043	2.6914		2.6914	3.1695	1.0484	3.5269
O5	1.7843	2.9043	2.6914	2.6914		3.5269	3.1695	1.0484
H6	2.2267	2.8192	1.0484	3.1695	3.5269		3.8468	3.8468
H7	2.2267	2.8192	3.5269	1.0484	3.1695	3.8468		3.8468
H8	2.2267	2.8192	3.1695	3.5269	1.0484	3.8468	3.8468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	100.401	P1	O4	H7	100.401
P1	O5	H8	100.401	O2	P1	O3	119.441
O2	P1	O4	119.441	O2	P1	O5	119.441
O3	P1	O4	97.909	O3	P1	O5	97.909
O4	P1	O5	97.909

All results from a given calculation for H₃PO₄ (Phosphoric Acid)

using model chemistry: BLYP/STO-3G

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	P	0.821
2	O	-0.382
3	O	-0.289
4	O	-0.289
5	O	-0.289
6	H	0.143
7	H	0.143
8	H	0.143

<r²>	129.389
(<r²>)^1/2	11.375

All results from a given calculation for H3PO4 (Phosphoric Acid)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for H₃PO₄ (Phosphoric Acid)