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	hartrees
Energy at 0K	-643.043065
Energy at 298.15K	-643.048910
HF Energy	-642.084919
Nuclear repulsion energy	274.648228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3806	3689	17.49
2	A	1265	1226	309.92
3	A	1079	1046	52.89
4	A	798	774	16.22
5	A	427	413	22.98
6	A	304	294	71.53
7	E	3805	3688	178.68
7	E	3805	3688	178.68
8	E	1079	1046	64.90
8	E	1079	1046	64.90
9	E	908	880	296.20
9	E	908	880	296.20
10	E	426	413	56.49
10	E	426	413	56.49
11	E	362	351	48.93
11	E	362	351	48.93
12	E	159	154	59.94
12	E	159	154	59.94

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.127
O2	0.000	0.000	1.632
O3	0.000	1.453	-0.613
O4	1.258	-0.726	-0.613
O5	-1.258	-0.726	-0.613
H6	0.503	2.088	-0.080
H7	1.557	-1.480	-0.080
H8	-2.060	-0.608	-0.080

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5042	1.6307	1.6307	1.6307	2.1582	2.1582	2.1582
O2	1.5042		2.6740	2.6740	2.6740	2.7469	2.7469	2.7469
O3	1.6307	2.6740		2.5164	2.5164	0.9701	3.3630	2.9626
O4	1.6307	2.6740	2.5164		2.5164	2.9626	0.9701	3.3630
O5	1.6307	2.6740	2.5164	2.5164		3.3630	2.9626	0.9701
H6	2.1582	2.7469	0.9701	2.9626	3.3630		3.7207	3.7207
H7	2.1582	2.7469	3.3630	0.9701	2.9626	3.7207		3.7207
H8	2.1582	2.7469	2.9626	3.3630	0.9701	3.7207	3.7207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	109.522	P1	O4	H7	109.522
P1	O5	H8	109.522	O2	P1	O3	117.012
O2	P1	O4	117.012	O2	P1	O5	117.012
O3	P1	O4	100.987	O3	P1	O5	100.987
O4	P1	O5	100.987

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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