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	hartrees
Energy at 0K	-643.849852
Energy at 298.15K	-643.855899
HF Energy	-643.849852
Nuclear repulsion energy	280.088061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3737	26.58
2	A	1334	1281	293.38
3	A	1029	988	95.01
4	A	844	810	18.02
5	A	463	444	34.42
6	A	317	305	113.62
7	E	3888	3734	180.87
7	E	3888	3734	180.86
8	E	1045	1004	73.60
8	E	1045	1004	73.59
9	E	927	890	345.13
9	E	927	890	345.12
10	E	456	438	86.97
10	E	456	438	86.97
11	E	380	365	40.45
11	E	380	365	40.44
12	E	179	172	77.29
12	E	179	172	77.30

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.116
O2	0.000	0.000	1.585
O3	0.000	1.433	-0.588
O4	1.241	-0.717	-0.588
O5	-1.241	-0.717	-0.588
H6	0.534	2.068	-0.101
H7	1.524	-1.496	-0.101
H8	-2.057	-0.572	-0.101

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4691	1.5965	1.5965	1.5965	2.1462	2.1462	2.1462
O2	1.4691		2.6027	2.6027	2.6027	2.7204	2.7205	2.7205
O3	1.5965	2.6027		2.4822	2.4822	0.9614	3.3373	2.9136
O4	1.5965	2.6027	2.4822		2.4822	2.9136	0.9614	3.3373
O5	1.5965	2.6027	2.4822	2.4822		3.3373	2.9136	0.9614
H6	2.1462	2.7204	0.9614	2.9136	3.3373		3.6984	3.6984
H7	2.1462	2.7205	3.3373	0.9614	2.9136	3.6984		3.6984
H8	2.1462	2.7205	2.9136	3.3373	0.9614	3.6984	3.6984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	111.660	P1	O4	H7	111.660
P1	O5	H8	111.660	O2	P1	O3	116.150
O2	P1	O4	116.150	O2	P1	O5	116.150
O3	P1	O4	102.043	O3	P1	O5	102.043
O4	P1	O5	102.043

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

using model chemistry: HSEh1PBE/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	1.148
2	O	-0.584
3	O	-0.501
4	O	-0.501
5	O	-0.501
6	H	0.313
7	H	0.313
8	H	0.313

<r²>	112.812
(<r²>)^1/2	10.621

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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