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	hartrees
Energy at 0K	-643.085648
Energy at 298.15K	-643.091580
HF Energy	-642.162992
Nuclear repulsion energy	279.027313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3914	3711	22.05
2	A	1337	1267	341.16
3	A	1076	1020	71.64
4	A	857	812	16.22
5	A	452	428	27.91
6	A	306	290	92.94
7	E	3912	3708	168.53
7	E	3912	3708	168.53
8	E	1074	1018	68.16
8	E	1074	1018	68.16
9	E	956	906	351.21
9	E	956	906	351.21
10	E	458	434	95.38
10	E	458	434	95.38
11	E	369	350	45.92
11	E	369	350	45.91
12	E	146	138	76.99
12	E	146	138	76.99

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.114
O2	0.000	0.000	1.590
O3	0.000	1.440	-0.592
O4	1.247	-0.720	-0.592
O5	-1.247	-0.720	-0.592
H6	0.508	2.071	-0.073
H7	1.539	-1.475	-0.073
H8	-2.047	-0.596	-0.073

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4765	1.6033	1.6033	1.6033	2.1401	2.1401	2.1401
O2	1.4765		2.6145	2.6145	2.6145	2.7043	2.7043	2.7043
O3	1.6033	2.6145		2.4934	2.4934	0.9618	3.3366	2.9328
O4	1.6033	2.6145	2.4934		2.4934	2.9328	0.9618	3.3366
O5	1.6033	2.6145	2.4934	2.4934		3.3366	2.9328	0.9618
H6	2.1401	2.7043	0.9618	2.9328	3.3366		3.6926	3.6926
H7	2.1401	2.7043	3.3366	0.9618	2.9328	3.6926		3.6926
H8	2.1401	2.7043	2.9328	3.3366	0.9618	3.6926	3.6926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	110.585	P1	O4	H7	110.585
P1	O5	H8	110.585	O2	P1	O3	116.125
O2	P1	O4	116.125	O2	P1	O5	116.125
O3	P1	O4	102.074	O3	P1	O5	102.074
O4	P1	O5	102.074

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

using model chemistry: CCD/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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All results from a given calculation for H3PO4 (Phosphoric Acid)

using model chemistry: CCD/TZVP

States and conformations

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