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	hartrees
Energy at 0K	-643.329085
Energy at 298.15K	-643.335189
HF Energy	-642.217883
Nuclear repulsion energy	281.159950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3903	3729	23.51
2	A	1356	1296	282.87
3	A	1074	1026	89.40
4	A	870	831	14.71
5	A	464	444	19.44
6	A	319	304	86.87
7	E	3900	3727	181.01
7	E	3900	3727	181.01
8	E	1084	1036	65.67
8	E	1084	1036	65.67
9	E	963	920	319.17
9	E	963	920	319.17
10	E	469	448	75.09
10	E	469	448	75.09
11	E	384	367	38.40
11	E	384	367	38.40
12	E	171	164	68.77
12	E	171	164	68.77

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.113
O2	0.000	0.000	1.579
O3	0.000	1.427	-0.588
O4	1.236	-0.713	-0.588
O5	-1.236	-0.713	-0.588
H6	0.508	2.061	-0.076
H7	1.531	-1.470	-0.076
H8	-2.039	-0.591	-0.076

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4661	1.5898	1.5898	1.5898	2.1308	2.1308	2.1308
O2	1.4661		2.5948	2.5948	2.5948	2.6917	2.6917	2.6917
O3	1.5898	2.5948		2.4712	2.4712	0.9601	3.3162	2.9133
O4	1.5898	2.5948	2.4712		2.4712	2.9133	0.9601	3.3162
O5	1.5898	2.5948	2.4712	2.4712		3.3162	2.9133	0.9601
H6	2.1308	2.6917	0.9601	2.9133	3.3162		3.6761	3.6761
H7	2.1308	2.6917	3.3162	0.9601	2.9133	3.6761		3.6761
H8	2.1308	2.6917	2.9133	3.3162	0.9601	3.6761	3.6761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	110.946	P1	O4	H7	110.946
P1	O5	H8	110.946	O2	P1	O3	116.175
O2	P1	O4	116.175	O2	P1	O5	116.175
O3	P1	O4	102.013	O3	P1	O5	102.013
O4	P1	O5	102.013

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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