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	hartrees
Energy at 0K	-644.107743
Energy at 298.15K	-644.113825
HF Energy	-644.107743
Nuclear repulsion energy	280.582440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3891	11.90
2	A	1356	1356	340.59
3	A	1046	1046	153.83
4	A	869	869	20.43
5	A	474	474	42.93
6	A	327	327	139.56
7	E	3888	3888	177.14
7	E	3888	3888	177.01
8	E	1072	1072	85.94
8	E	1072	1072	86.07
9	E	939	939	382.28
9	E	939	939	381.74
10	E	467	467	116.17
10	E	467	467	115.91
11	E	386	386	38.49
11	E	386	386	38.39
12	E	172	172	91.43
12	E	172	172	91.34

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.117
O2	0.000	0.000	1.582
O3	0.000	1.429	-0.582
O4	1.238	-0.715	-0.582
O5	-1.238	-0.715	-0.582
H6	0.543	2.091	-0.142
H7	1.539	-1.516	-0.142
H8	-2.082	-0.575	-0.142

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4651	1.5911	1.5911	1.5911	2.1754	2.1754	2.1754
O2	1.4651		2.5935	2.5935	2.5935	2.7634	2.7634	2.7634
O3	1.5911	2.5935		2.4757	2.4757	0.9625	3.3520	2.9232
O4	1.5911	2.5935	2.4757		2.4757	2.9232	0.9625	3.3520
O5	1.5911	2.5935	2.4757	2.4757		3.3520	2.9232	0.9625
H6	2.1754	2.7634	0.9625	2.9232	3.3520		3.7412	3.7412
H7	2.1754	2.7634	3.3520	0.9625	2.9232	3.7412		3.7412
H8	2.1754	2.7634	2.9232	3.3520	0.9625	3.7412	3.7412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	114.585	P1	O4	H7	114.585
P1	O5	H8	114.585	O2	P1	O3	116.059
O2	P1	O4	116.059	O2	P1	O5	116.059
O3	P1	O4	102.153	O3	P1	O5	102.153
O4	P1	O5	102.153

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

using model chemistry: M06-2X/6-311G*

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	1.324
2	O	-0.617
3	O	-0.704
4	O	-0.704
5	O	-0.704
6	H	0.468
7	H	0.468
8	H	0.468

	x	y	z
x	4.213	0.001	-0.001
y	0.001	4.217	-0.001
z	-0.001	-0.001	4.033

<r²>	112.680
(<r²>)^1/2	10.615

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

using model chemistry: M06-2X/6-311G*

States and conformations

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