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	hartrees
Energy at 0K	-642.851219
Energy at 298.15K	-642.857209
HF Energy	-642.014974
Nuclear repulsion energy	278.794629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3807	3603	20.87
2	A	1367	1294	328.95
3	A	1107	1048	108.70
4	A	851	805	14.99
5	A	469	444	39.52
6	A	316	299	107.81
7	E	3804	3601	169.05
7	E	3804	3601	169.05
8	E	1114	1055	97.63
8	E	1114	1055	97.63
9	E	963	911	341.35
9	E	963	911	341.35
10	E	466	441	103.88
10	E	466	441	103.88
11	E	382	361	33.14
11	E	382	361	33.14
12	E	152	144	83.84
12	E	152	144	83.84

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.117
O2	0.000	0.000	1.590
O3	0.000	1.440	-0.592
O4	1.247	-0.720	-0.592
O5	-1.247	-0.720	-0.592
H6	0.538	2.075	-0.090
H7	1.528	-1.504	-0.090
H8	-2.066	-0.572	-0.090

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4726	1.6047	1.6047	1.6047	2.1537	2.1537	2.1537
O2	1.4726		2.6135	2.6135	2.6135	2.7231	2.7231	2.7231
O3	1.6047	2.6135		2.4937	2.4937	0.9722	3.3541	2.9269
O4	1.6047	2.6135	2.4937		2.4937	2.9269	0.9722	3.3541
O5	1.6047	2.6135	2.4937	2.4937		3.3541	2.9269	0.9722
H6	2.1537	2.7231	0.9722	2.9269	3.3541		3.7132	3.7132
H7	2.1537	2.7231	3.3541	0.9722	2.9269	3.7132		3.7132
H8	2.1537	2.7231	2.9269	3.3541	0.9722	3.7132	3.7132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	111.002	P1	O4	H7	111.002
P1	O5	H8	111.002	O2	P1	O3	116.203
O2	P1	O4	116.203	O2	P1	O5	116.203
O3	P1	O4	101.978	O3	P1	O5	101.978
O4	P1	O5	101.978

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)