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	hartrees
Energy at 0K	-643.694086
Energy at 298.15K	-643.699803
HF Energy	-643.694086
Nuclear repulsion energy	275.177446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3681	12.66
2	A	1250	1236	302.91
3	A	1013	1002	70.42
4	A	774	765	21.60
5	A	423	418	29.22
6	A	324	320	92.08
7	E	3722	3679	147.75
7	E	3722	3679	147.74
8	E	1012	1001	66.32
8	E	1012	1001	66.30
9	E	869	859	312.19
9	E	869	859	312.16
10	E	419	414	59.38
10	E	419	414	59.38
11	E	352	348	40.13
11	E	352	348	40.12
12	E	152	150	69.40
12	E	152	150	69.40

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.124
O2	0.000	0.000	1.620
O3	0.000	1.454	-0.606
O4	1.259	-0.727	-0.606
O5	-1.259	-0.727	-0.606
H6	0.539	2.091	-0.098
H7	1.541	-1.513	-0.098
H8	-2.080	-0.578	-0.098

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4962	1.6266	1.6266	1.6266	2.1706	2.1706	2.1706
O2	1.4962		2.6586	2.6586	2.6586	2.7594	2.7594	2.7594
O3	1.6266	2.6586		2.5180	2.5180	0.9771	3.3810	2.9521
O4	1.6266	2.6586	2.5180		2.5180	2.9521	0.9771	3.3810
O5	1.6266	2.6586	2.5180	2.5180		3.3810	2.9521	0.9771
H6	2.1706	2.7594	0.9771	2.9521	3.3810		3.7399	3.7399
H7	2.1706	2.7594	3.3810	0.9771	2.9521	3.7399		3.7399
H8	2.1706	2.7594	2.9521	3.3810	0.9771	3.7399	3.7399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	110.457	P1	O4	H7	110.457
P1	O5	H8	110.457	O2	P1	O3	116.656
O2	P1	O4	116.656	O2	P1	O5	116.656
O3	P1	O4	101.425	O3	P1	O5	101.425
O4	P1	O5	101.425

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

using model chemistry: PBEPBE/6-31+G**

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	1.478
2	O	-0.622
3	O	-0.667
4	O	-0.667
5	O	-0.667
6	H	0.382
7	H	0.382
8	H	0.382

	x	y	z
x	5.692	0.000	-0.000
y	0.000	5.691	0.000
z	-0.000	0.000	5.853

<r²>	116.521
(<r²>)^1/2	10.794

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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