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	hartrees
Energy at 0K	-644.190717
Energy at 298.15K	-644.196585
HF Energy	-644.190717
Nuclear repulsion energy	275.105315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3657	3648	2.15
2	A	1248	1245	268.66
3	A	1035	1033	87.66
4	A	766	764	24.24
5	A	443	442	48.80
6	A	337	336	117.97
7	E	3656	3647	90.75
7	E	3656	3647	90.75
8	E	1050	1047	68.48
8	E	1050	1047	68.47
9	E	853	851	326.44
9	E	853	851	326.40
10	E	424	423	68.63
10	E	424	423	68.63
11	E	364	363	43.67
11	E	364	363	43.68
12	E	177	176	75.31
12	E	177	176	75.30

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.129
O2	0.000	0.000	1.620
O3	0.000	1.454	-0.602
O4	1.259	-0.727	-0.602
O5	-1.259	-0.727	-0.602
H6	0.571	2.102	-0.149
H7	1.535	-1.546	-0.149
H8	-2.106	-0.557	-0.149

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4914	1.6273	1.6273	1.6273	2.1960	2.1960	2.1960
O2	1.4914		2.6558	2.6558	2.6558	2.8065	2.8065	2.8065
O3	1.6273	2.6558		2.5181	2.5181	0.9755	3.3996	2.9465
O4	1.6273	2.6558	2.5181		2.5181	2.9465	0.9755	3.3996
O5	1.6273	2.6558	2.5181	2.5181		3.3996	2.9465	0.9755
H6	2.1960	2.8065	0.9755	2.9465	3.3996		3.7729	3.7729
H7	2.1960	2.8065	3.3996	0.9755	2.9465	3.7729		3.7729
H8	2.1960	2.8065	2.9465	3.3996	0.9755	3.7729	3.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	112.648	P1	O4	H7	112.648
P1	O5	H8	112.648	O2	P1	O3	116.702
O2	P1	O4	116.702	O2	P1	O5	116.702
O3	P1	O4	101.369	O3	P1	O5	101.369
O4	P1	O5	101.369

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

using model chemistry: BLYP/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	1.127
2	O	-0.536
3	O	-0.630
4	O	-0.630
5	O	-0.630
6	H	0.433
7	H	0.433
8	H	0.433

<r²>	116.451
(<r²>)^1/2	10.791

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

using model chemistry: BLYP/6-311G*

States and conformations

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