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	hartrees
Energy at 0K	-644.234916
Energy at 298.15K	-644.240615
HF Energy	-644.234916
Nuclear repulsion energy	273.223276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3656	9.75
2	A	1225	1222	289.34
3	A	1023	1021	47.61
4	A	750	748	22.72
5	A	419	417	27.58
6	A	313	313	89.48
7	E	3664	3655	125.71
7	E	3664	3655	125.71
8	E	1025	1022	60.79
8	E	1025	1022	60.76
9	E	844	841	307.23
9	E	844	841	307.19
10	E	411	410	56.51
10	E	411	410	56.50
11	E	345	344	45.74
11	E	345	344	45.75
12	E	160	160	67.12
12	E	160	160	67.11

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.128
O2	0.000	0.000	1.632
O3	0.000	1.465	-0.610
O4	1.269	-0.733	-0.610
O5	-1.269	-0.733	-0.610
H6	0.548	2.098	-0.107
H7	1.543	-1.524	-0.107
H8	-2.091	-0.574	-0.107

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5036	1.6409	1.6409	1.6409	2.1808	2.1808	2.1808
O2	1.5036		2.6785	2.6785	2.6785	2.7791	2.7791	2.7791
O3	1.6409	2.6785		2.5382	2.5382	0.9766	3.4010	2.9638
O4	1.6409	2.6785	2.5382		2.5382	2.9638	0.9766	3.4010
O5	1.6409	2.6785	2.5382	2.5382		3.4010	2.9638	0.9766
H6	2.1808	2.7791	0.9766	2.9638	3.4010		3.7553	3.7553
H7	2.1808	2.7791	3.4010	0.9766	2.9638	3.7553		3.7553
H8	2.1808	2.7791	2.9638	3.4010	0.9766	3.7553	3.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	110.252	P1	O4	H7	110.252
P1	O5	H8	110.252	O2	P1	O3	116.744
O2	P1	O4	116.744	O2	P1	O5	116.744
O3	P1	O4	101.318	O3	P1	O5	101.318
O4	P1	O5	101.318

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

using model chemistry: BLYP/TZVP

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	0.669
2	O	-0.430
3	O	-0.384
4	O	-0.384
5	O	-0.384
6	H	0.304
7	H	0.304
8	H	0.304

	x	y	z
x	5.277	0.000	0.000
y	0.000	5.277	-0.000
z	0.000	-0.000	5.282

<r²>	117.947
(<r²>)^1/2	10.860

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

using model chemistry: BLYP/TZVP

States and conformations

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