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	hartrees
Energy at 0K	-643.084195
Energy at 298.15K
HF Energy	-642.085060
Nuclear repulsion energy	274.583710

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.126
O2	0.000	0.000	1.630
O3	0.000	1.455	-0.612
O4	1.260	-0.727	-0.612
O5	-1.260	-0.727	-0.612
H6	0.510	2.088	-0.083
H7	1.553	-1.485	-0.083
H8	-2.063	-0.603	-0.083

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5032	1.6315	1.6315	1.6315	2.1596	2.1596	2.1596
O2	1.5032		2.6723	2.6723	2.6723	2.7485	2.7485	2.7485
O3	1.6315	2.6723		2.5199	2.5199	0.9695	3.3672	2.9612
O4	1.6315	2.6723	2.5199		2.5199	2.9612	0.9695	3.3672
O5	1.6315	2.6723	2.5199	2.5199		3.3672	2.9612	0.9695
H6	2.1596	2.7485	0.9695	2.9612	3.3672		3.7228	3.7228
H7	2.1596	2.7485	3.3672	0.9695	2.9612	3.7228		3.7228
H8	2.1596	2.7485	2.9612	3.3672	0.9695	3.7228	3.7228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	109.615	P1	O4	H7	109.615
P1	O5	H8	109.615	O2	P1	O3	116.906
O2	P1	O4	116.906	O2	P1	O5	116.906
O3	P1	O4	101.118	O3	P1	O5	101.118
O4	P1	O5	101.118

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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