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	hartrees
Energy at 0K	-635.433000
Energy at 298.15K
HF Energy	-635.433000
Nuclear repulsion energy	256.841348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3551	3244	62.67
2	A	1303	1190	43.98
3	A	1119	1023	15.79
4	A	659	602	2.69
5	A	298	272	5.54
6	A	166	152	17.40
7	E	3549	3242	17.05
7	E	3549	3242	17.05
8	E	1237	1130	24.14
8	E	1237	1130	24.13
9	E	760	694	131.85
9	E	760	694	131.85
10	E	285	260	5.88
10	E	285	260	5.89
11	E	243	222	43.82
11	E	243	222	43.81
12	E	25i	23i	29.40
12	E	26i	23i	29.42

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.174
O2	0.000	0.000	1.744
O3	0.000	1.545	-0.692
O4	1.338	-0.772	-0.692
O5	-1.338	-0.772	-0.692
H6	0.450	2.155	0.021
H7	1.642	-1.467	0.021
H8	-2.092	-0.688	0.021

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5698	1.7709	1.7709	1.7709	2.2071	2.2071	2.2071
O2	1.5698		2.8845	2.8845	2.8845	2.7956	2.7956	2.7956
O3	1.7709	2.8845		2.6752	2.6752	1.0415	3.5036	3.1414
O4	1.7709	2.8845	2.6752		2.6752	3.1414	1.0415	3.5036
O5	1.7709	2.8845	2.6752	2.6752		3.5036	3.1414	1.0415
H6	2.2071	2.7956	1.0415	3.1414	3.5036		3.8137	3.8137
H7	2.2071	2.7956	3.5036	1.0415	3.1414	3.8137		3.8137
H8	2.2071	2.7956	3.1414	3.5036	1.0415	3.8137	3.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	100.160	P1	O4	H7	100.160
P1	O5	H8	100.160	O2	P1	O3	119.287
O2	P1	O4	119.287	O2	P1	O5	119.287
O3	P1	O4	98.108	O3	P1	O5	98.108
O4	P1	O5	98.108

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

using model chemistry: PBEPBE/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	0.812
2	O	-0.384
3	O	-0.295
4	O	-0.295
5	O	-0.295
6	H	0.152
7	H	0.152
8	H	0.152

<r²>	127.831
(<r²>)^1/2	11.306

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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