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	hartrees
Energy at 0K	-642.119215
Energy at 298.15K	-642.125568
HF Energy	-642.119215
Nuclear repulsion energy	284.349317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4175	3776	22.69
2	A	1426	1289	434.18
3	A	1123	1016	187.60
4	A	932	843	14.20
5	A	512	463	46.30
6	A	327	296	155.12
7	E	4170	3771	227.19
7	E	4170	3771	227.19
8	E	1143	1034	112.55
8	E	1143	1034	112.55
9	E	1010	914	415.17
9	E	1010	914	415.17
10	E	512	463	153.69
10	E	512	463	153.69
11	E	416	376	36.87
11	E	416	376	36.87
12	E	184	166	102.24
12	E	184	166	102.24

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.108
O2	0.000	0.000	1.553
O3	0.000	1.417	-0.567
O4	1.227	-0.708	-0.567
O5	-1.227	-0.708	-0.567
H6	0.511	2.084	-0.143
H7	1.550	-1.484	-0.143
H8	-2.060	-0.600	-0.143

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4447	1.5695	1.5695	1.5695	2.1605	2.1605	2.1605
O2	1.4447		2.5500	2.5500	2.5500	2.7351	2.7351	2.7351
O3	1.5695	2.5500		2.4538	2.4538	0.9415	3.3163	2.9139
O4	1.5695	2.5500	2.4538		2.4538	2.9139	0.9415	3.3163
O5	1.5695	2.5500	2.4538	2.4538		3.3163	2.9139	0.9415
H6	2.1605	2.7351	0.9415	2.9139	3.3163		3.7166	3.7166
H7	2.1605	2.7351	3.3163	0.9415	2.9139	3.7166		3.7166
H8	2.1605	2.7351	2.9139	3.3163	0.9415	3.7166	3.7166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	116.479	P1	O4	H7	116.479
P1	O5	H8	116.479	O2	P1	O3	115.493
O2	P1	O4	115.493	O2	P1	O5	115.493
O3	P1	O4	102.834	O3	P1	O5	102.834
O4	P1	O5	102.834

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

using model chemistry: HF/6-311G*

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	1.648
2	O	-0.735
3	O	-0.794
4	O	-0.794
5	O	-0.794
6	H	0.489
7	H	0.489
8	H	0.489

<r²>	110.418
(<r²>)^1/2	10.508

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

using model chemistry: HF/6-311G*

States and conformations

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