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	hartrees
Energy at 0K	-641.734947
Energy at 298.15K	-641.740691
HF Energy	-641.734947
Nuclear repulsion energy	278.915898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3686	3616	17.20
2	A	1319	1294	251.67
3	A	1016	996	105.78
4	A	827	811	13.02
5	A	445	436	31.37
6	A	310	304	101.97
7	E	3685	3615	150.90
7	E	3685	3615	150.89
8	E	1037	1017	86.76
8	E	1037	1017	86.76
9	E	927	910	308.31
9	E	927	910	308.31
10	E	430	422	74.29
10	E	430	422	74.28
11	E	362	355	37.04
11	E	362	355	37.03
12	E	135	133	77.91
12	E	135	132	77.91

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.117
O2	0.000	0.000	1.597
O3	0.000	1.434	-0.596
O4	1.241	-0.717	-0.596
O5	-1.241	-0.717	-0.596
H6	0.542	2.064	-0.078
H7	1.517	-1.502	-0.078
H8	-2.059	-0.563	-0.078

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4798	1.6013	1.6013	1.6013	2.1434	2.1434	2.1434
O2	1.4798		2.6202	2.6202	2.6202	2.7136	2.7136	2.7136
O3	1.6013	2.6202		2.4830	2.4830	0.9797	3.3443	2.9140
O4	1.6013	2.6202	2.4830		2.4830	2.9140	0.9797	3.3443
O5	1.6013	2.6202	2.4830	2.4830		3.3443	2.9140	0.9797
H6	2.1434	2.7136	0.9797	2.9140	3.3443		3.6969	3.6969
H7	2.1434	2.7136	3.3443	0.9797	2.9140	3.6969		3.6969
H8	2.1434	2.7136	2.9140	3.3443	0.9797	3.6969	3.6969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	109.940	P1	O4	H7	109.940
P1	O5	H8	109.940	O2	P1	O3	116.460
O2	P1	O4	116.460	O2	P1	O5	116.460
O3	P1	O4	101.666	O3	P1	O5	101.666
O4	P1	O5	101.666

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

using model chemistry: SVWN/6-31G*

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	0.819
2	O	-0.475
3	O	-0.570
4	O	-0.570
5	O	-0.570
6	H	0.456
7	H	0.456
8	H	0.456

<r²>	112.894
(<r²>)^1/2	10.625

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

using model chemistry: SVWN/6-31G*

States and conformations

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