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	hartrees
Energy at 0K	-643.227813
Energy at 298.15K
HF Energy	-642.160880
Nuclear repulsion energy	277.841613

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.116
O2	0.000	0.000	1.601
O3	0.000	1.444	-0.597
O4	1.250	-0.722	-0.597
O5	-1.250	-0.722	-0.597
H6	0.516	2.068	-0.072
H7	1.533	-1.481	-0.072
H8	-2.049	-0.587	-0.072

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4844	1.6107	1.6107	1.6107	2.1398	2.1398	2.1398
O2	1.4844		2.6300	2.6300	2.6300	2.7096	2.7096	2.7096
O3	1.6107	2.6300		2.5008	2.5008	0.9656	3.3438	2.9322
O4	1.6107	2.6300	2.5008		2.5008	2.9322	0.9656	3.3438
O5	1.6107	2.6300	2.5008	2.5008		3.3438	2.9322	0.9656
H6	2.1398	2.7096	0.9656	2.9322	3.3438		3.6918	3.6918
H7	2.1398	2.7096	3.3438	0.9656	2.9322	3.6918		3.6918
H8	2.1398	2.7096	2.9322	3.3438	0.9656	3.6918	3.6918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	109.770	P1	O4	H7	109.770
P1	O5	H8	109.770	O2	P1	O3	116.310
O2	P1	O4	116.310	O2	P1	O5	116.310
O3	P1	O4	101.848	O3	P1	O5	101.848
O4	P1	O5	101.848

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

using model chemistry: CCSD(T)=FULL/TZVP

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/TZVP

States and conformations

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