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	hartrees
Energy at 0K	-641.857828
Energy at 298.15K	-641.863807
HF Energy	-641.857828
Nuclear repulsion energy	279.790257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3657	6.04
2	A	1311	1290	274.81
3	A	990	974	134.72
4	A	836	822	21.87
5	A	459	452	56.97
6	A	342	336	132.28
7	E	3716	3655	148.04
7	E	3716	3655	148.03
8	E	1032	1015	83.19
8	E	1032	1015	83.19
9	E	900	885	341.83
9	E	900	885	341.83
10	E	437	430	89.45
10	E	437	430	89.44
11	E	377	371	44.51
11	E	377	371	44.49
12	E	177	174	79.77
12	E	177	174	79.77

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.122
O2	0.000	0.000	1.596
O3	0.000	1.426	-0.590
O4	1.235	-0.713	-0.590
O5	-1.235	-0.713	-0.590
H6	0.566	2.086	-0.150
H7	1.523	-1.533	-0.150
H8	-2.089	-0.553	-0.150

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4741	1.5937	1.5937	1.5937	2.1782	2.1782	2.1782
O2	1.4741		2.6098	2.6098	2.6098	2.7786	2.7786	2.7786
O3	1.5937	2.6098		2.4700	2.4700	0.9738	3.3570	2.9108
O4	1.5937	2.6098	2.4700		2.4700	2.9108	0.9738	3.3570
O5	1.5937	2.6098	2.4700	2.4700		3.3570	2.9108	0.9738
H6	2.1782	2.7786	0.9738	2.9108	3.3570		3.7431	3.7431
H7	2.1782	2.7786	3.3570	0.9738	2.9108	3.7431		3.7431
H8	2.1782	2.7786	2.9108	3.3570	0.9738	3.7431	3.7431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	113.872	P1	O4	H7	113.872
P1	O5	H8	113.872	O2	P1	O3	116.517
O2	P1	O4	116.517	O2	P1	O5	116.517
O3	P1	O4	101.596	O3	P1	O5	101.596
O4	P1	O5	101.596

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

using model chemistry: LSDA/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	1.048
2	O	-0.525
3	O	-0.638
4	O	-0.638
5	O	-0.638
6	H	0.463
7	H	0.463
8	H	0.463

<r²>	112.977
(<r²>)^1/2	10.629

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

using model chemistry: LSDA/6-311G*

States and conformations

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