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	hartrees
Energy at 0K	-642.215066
Energy at 298.15K	-642.220285
HF Energy	-641.724257
Nuclear repulsion energy	264.957353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3864	3613	1.64
2	A	1122	1049	235.22
3	A	1057	989	105.47
4	A	745	696	36.61
5	A	423	395	87.37
6	A	223	209	317.93
7	E	3857	3607	222.27
7	E	3857	3607	222.27
8	E	1103	1032	82.75
8	E	1103	1032	82.75
9	E	847	792	286.49
9	E	847	792	286.49
10	E	395	370	122.29
10	E	395	370	122.29
11	E	319	299	13.57
11	E	319	299	13.57
12	E	81	75	103.81
12	E	81	75	103.81

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.145
O2	0.000	0.000	1.720
O3	0.000	1.502	-0.614
O4	1.301	-0.751	-0.614
O5	-1.301	-0.751	-0.614
H6	0.695	2.139	-0.399
H7	1.505	-1.672	-0.399
H8	-2.201	-0.467	-0.399

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5750	1.6834	1.6834	1.6834	2.3146	2.3146	2.3146
O2	1.5750		2.7764	2.7764	2.7764	3.0909	3.0909	3.0909
O3	1.6834	2.7764		2.6018	2.6018	0.9676	3.5195	2.9610
O4	1.6834	2.7764	2.6018		2.6018	2.9610	0.9676	3.5195
O5	1.6834	2.7764	2.6018	2.6018		3.5195	2.9610	0.9676
H6	2.3146	3.0909	0.9676	2.9610	3.5195		3.8965	3.8965
H7	2.3146	3.0909	3.5195	0.9676	2.9610	3.8965		3.8965
H8	2.3146	3.0909	2.9610	3.5195	0.9676	3.8965	3.8965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	119.162	P1	O4	H7	119.162
P1	O5	H8	119.162	O2	P1	O3	116.835
O2	P1	O4	116.835	O2	P1	O5	116.835
O3	P1	O4	101.205	O3	P1	O5	101.205
O4	P1	O5	101.205

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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