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	hartrees
Energy at 0K	-635.875864
Energy at 298.15K	-635.880036
HF Energy	-635.875864
Nuclear repulsion energy	259.887780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3289	58.49
2	A	1335	1192	42.17
3	A	1115	995	24.74
4	A	688	614	2.12
5	A	319	284	8.54
6	A	164	146	20.99
7	E	3683	3287	15.01
7	E	3683	3287	15.01
8	E	1283	1145	24.67
8	E	1283	1145	24.67
9	E	802	716	131.81
9	E	802	716	131.81
10	E	298	266	12.72
10	E	298	266	12.72
11	E	250	224	46.70
11	E	250	224	46.70
12	E	49	44	36.99
12	E	49	44	36.99

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.164
O2	0.000	0.000	1.725
O3	0.000	1.527	-0.679
O4	1.322	-0.763	-0.679
O5	-1.322	-0.763	-0.679
H6	0.456	2.145	0.006
H7	1.630	-1.467	0.006
H8	-2.086	-0.678	0.006

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5607	1.7441	1.7441	1.7441	2.1991	2.1991	2.1991
O2	1.5607		2.8478	2.8478	2.8478	2.7866	2.7866	2.7866
O3	1.7441	2.8478		2.6444	2.6444	1.0295	3.4774	3.1115
O4	1.7441	2.8478	2.6444		2.6444	3.1115	1.0295	3.4774
O5	1.7441	2.8478	2.6444	2.6444		3.4774	3.1115	1.0295
H6	2.1991	2.7866	1.0295	3.1115	3.4774		3.7990	3.7990
H7	2.1991	2.7866	3.4774	1.0295	3.1115	3.7990		3.7990
H8	2.1991	2.7866	3.1115	3.4774	1.0295	3.7990	3.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	101.794	P1	O4	H7	101.794
P1	O5	H8	101.794	O2	P1	O3	118.910
O2	P1	O4	118.910	O2	P1	O5	118.910
O3	P1	O4	98.594	O3	P1	O5	98.594
O4	P1	O5	98.594

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

using model chemistry: B3LYP/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	0.931
2	O	-0.429
3	O	-0.327
4	O	-0.327
5	O	-0.327
6	H	0.159
7	H	0.159
8	H	0.159

<r²>	125.572
(<r²>)^1/2	11.206

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

using model chemistry: B3LYP/STO-3G

States and conformations

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