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	hartrees
Energy at 0K	-642.295595
Energy at 298.15K	-642.300682
HF Energy	-641.720748
Nuclear repulsion energy	262.634159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3574	2.66
2	A	1102	1057	241.48
3	A	1058	1015	65.41
4	A	712	683	31.99
5	A	407	390	75.23
6	A	223	214	291.84
7	E	3722	3572	161.56
7	E	3722	3572	161.56
8	E	1098	1054	70.83
8	E	1098	1054	70.83
9	E	819	786	260.95
9	E	819	786	260.95
10	E	381	365	111.56
10	E	381	365	111.57
11	E	307	295	11.58
11	E	307	295	11.58
12	E	74	71	99.41
12	E	74	71	99.41

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.150
O2	0.000	0.000	1.735
O3	0.000	1.515	-0.624
O4	1.312	-0.758	-0.624
O5	-1.312	-0.758	-0.624
H6	0.712	2.141	-0.387
H7	1.498	-1.687	-0.387
H8	-2.210	-0.454	-0.387

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5850	1.7013	1.7013	1.7013	2.3192	2.3192	2.3192
O2	1.5850		2.8036	2.8036	2.8036	3.0972	3.0972	3.0972
O3	1.7013	2.8036		2.6241	2.6241	0.9771	3.5431	2.9695
O4	1.7013	2.8036	2.6241		2.6241	2.9695	0.9771	3.5431
O5	1.7013	2.8036	2.6241	2.6241		3.5431	2.9695	0.9771
H6	2.3192	3.0972	0.9771	2.9695	3.5431		3.9079	3.9079
H7	2.3192	3.0972	3.5431	0.9771	2.9695	3.9079		3.9079
H8	2.3192	3.0972	2.9695	3.5431	0.9771	3.9079	3.9079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	117.395	P1	O4	H7	117.395
P1	O5	H8	117.395	O2	P1	O3	117.062
O2	P1	O4	117.062	O2	P1	O5	117.062
O3	P1	O4	100.925	O3	P1	O5	100.925
O4	P1	O5	100.925

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

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

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