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	hartrees
Energy at 0K	-640.491534
Energy at 298.15K
HF Energy	-640.491534
Nuclear repulsion energy	268.696920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3589	3450	2.07
2	A	1243	1194	138.15
3	A	1031	991	106.73
4	A	770	740	35.27
5	A	422	406	51.53
6	A	183	176	269.07
7	E	3587	3448	93.57
7	E	3587	3448	93.56
8	E	1097	1054	63.42
8	E	1097	1054	63.42
9	E	882	848	267.57
9	E	882	848	267.56
10	E	402	386	88.74
10	E	402	386	88.74
11	E	318	305	2.31
11	E	318	305	2.31
12	E	90i	86i	88.88
12	E	90i	86i	88.88

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.147
O2	0.000	0.000	1.695
O3	0.000	1.478	-0.609
O4	1.280	-0.739	-0.609
O5	-1.280	-0.739	-0.609
H6	0.769	2.059	-0.382
H7	1.398	-1.695	-0.382
H8	-2.167	-0.364	-0.382

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5474	1.6601	1.6601	1.6601	2.2604	2.2604	2.2604
O2	1.5474		2.7371	2.7371	2.7371	3.0234	3.0234	3.0234
O3	1.6601	2.7371		2.5594	2.5594	0.9902	3.4749	2.8529
O4	1.6601	2.7371	2.5594		2.5594	2.8529	0.9902	3.4749
O5	1.6601	2.7371	2.5594	2.5594		3.4749	2.8529	0.9902
H6	2.2604	3.0234	0.9902	2.8529	3.4749		3.8064	3.8064
H7	2.2604	3.0234	3.4749	0.9902	2.8529	3.8064		3.8064
H8	2.2604	3.0234	2.8529	3.4749	0.9902	3.8064	3.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	114.682	P1	O4	H7	114.682
P1	O5	H8	114.682	O2	P1	O3	117.112
O2	P1	O4	117.112	O2	P1	O5	117.112
O3	P1	O4	100.863	O3	P1	O5	100.863
O4	P1	O5	100.863

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

using model chemistry: B3PW91/3-21G

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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Number	Element	Mulliken
1	P	1.514
2	O	-0.631
3	O	-0.703
4	O	-0.703
5	O	-0.703
6	H	0.408
7	H	0.408
8	H	0.408

	x	y	z
x	4.131	0.000	-0.000
y	0.000	4.131	0.000
z	-0.000	0.000	3.812

<r²>	120.747
(<r²>)^1/2	10.988

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

using model chemistry: B3PW91/3-21G

States and conformations

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