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	hartrees
Energy at 0K	-643.183808
Energy at 298.15K	-643.189845
HF Energy	-642.095243
Nuclear repulsion energy	281.924364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3659	23.14
2	A	1365	1283	241.06
3	A	1061	997	102.53
4	A	868	816	14.99
5	A	462	435	18.67
6	A	326	306	90.45
7	E	3890	3656	200.04
7	E	3890	3656	200.04
8	E	1080	1015	58.51
8	E	1080	1015	58.51
9	E	958	900	308.32
9	E	958	900	308.32
10	E	465	437	66.96
10	E	465	437	66.96
11	E	383	360	39.92
11	E	383	360	39.92
12	E	159	149	71.43
12	E	159	149	71.43

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.119
O2	0.000	0.000	1.582
O3	0.000	1.417	-0.591
O4	1.227	-0.709	-0.591
O5	-1.227	-0.709	-0.591
H6	0.510	2.053	-0.081
H7	1.523	-1.468	-0.081
H8	-2.033	-0.585	-0.081

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4630	1.5852	1.5852	1.5852	2.1250	2.1250	2.1250
O2	1.4630		2.5943	2.5943	2.5943	2.6906	2.6906	2.6906
O3	1.5852	2.5943		2.4548	2.4548	0.9619	3.3026	2.8989
O4	1.5852	2.5943	2.4548		2.4548	2.8989	0.9619	3.3026
O5	1.5852	2.5943	2.4548	2.4548		3.3026	2.8989	0.9619
H6	2.1250	2.6906	0.9619	2.8989	3.3026		3.6644	3.6644
H7	2.1250	2.6906	3.3026	0.9619	2.8989	3.6644		3.6644
H8	2.1250	2.6906	2.8989	3.3026	0.9619	3.6644	3.6644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	110.691	P1	O4	H7	110.691
P1	O5	H8	110.691	O2	P1	O3	116.609
O2	P1	O4	116.609	O2	P1	O5	116.609
O3	P1	O4	101.483	O3	P1	O5	101.483
O4	P1	O5	101.483

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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