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	hartrees
Energy at 0K	-638.788567
Energy at 298.15K	-638.794700
HF Energy	-638.788567
Nuclear repulsion energy	282.962679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3933	3550	5.98
2	A	1471	1328	351.06
3	A	1019	920	257.94
4	A	964	870	34.12
5	A	527	476	52.62
6	A	264	238	231.01
7	E	3927	3545	233.98
7	E	3927	3545	233.98
8	E	1160	1047	200.89
8	E	1160	1047	200.89
9	E	956	863	338.58
9	E	956	863	338.58
10	E	514	464	169.84
10	E	514	464	169.84
11	E	413	373	21.15
11	E	413	373	21.15
12	E	145	131	122.29
12	E	145	131	122.29

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.112
O2	0.000	0.000	1.565
O3	0.000	1.418	-0.563
O4	1.228	-0.709	-0.563
O5	-1.228	-0.709	-0.563
H6	0.569	2.120	-0.227
H7	1.552	-1.553	-0.227
H8	-2.121	-0.567	-0.227

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4526	1.5710	1.5710	1.5710	2.2215	2.2215	2.2215
O2	1.4526		2.5576	2.5576	2.5576	2.8339	2.8339	2.8339
O3	1.5710	2.5576		2.4566	2.4566	0.9644	3.3690	2.9248
O4	1.5710	2.5576	2.4566		2.4566	2.9248	0.9644	3.3690
O5	1.5710	2.5576	2.4566	2.4566		3.3690	2.9248	0.9644
H6	2.2215	2.8339	0.9644	2.9248	3.3690		3.8027	3.8027
H7	2.2215	2.8339	3.3690	0.9644	2.9248	3.8027		3.8027
H8	2.2215	2.8339	2.9248	3.3690	0.9644	3.8027	3.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	120.482	P1	O4	H7	120.482
P1	O5	H8	120.482	O2	P1	O3	115.473
O2	P1	O4	115.473	O2	P1	O5	115.473
O3	P1	O4	102.858	O3	P1	O5	102.858
O4	P1	O5	102.858

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

using model chemistry: HF/3-21G*

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	1.559
2	O	-0.652
3	O	-0.744
4	O	-0.744
5	O	-0.744
6	H	0.441
7	H	0.441
8	H	0.441

<r²>	110.534
(<r²>)^1/2	10.514

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

using model chemistry: HF/3-21G*

States and conformations

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