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	hartrees
Energy at 0K	-641.490504
Energy at 298.15K	-641.495364
HF Energy	-641.490504
Nuclear repulsion energy	263.505280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3504	3.34
2	A	1107	1085	162.28
3	A	983	963	90.20
4	A	688	674	31.77
5	A	367	360	44.19
6	A	248	243	234.32
7	E	3575	3503	135.34
7	E	3575	3503	135.33
8	E	1028	1007	51.37
8	E	1028	1007	51.37
9	E	782	766	263.69
9	E	782	766	263.71
10	E	347	340	78.98
10	E	347	340	78.98
11	E	288	283	20.69
11	E	288	283	20.68
12	E	64	63	98.28
12	E	64	63	98.28

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.733
O3	0.000	1.502	-0.633
O4	1.301	-0.751	-0.633
O5	-1.301	-0.751	-0.633
H6	0.694	2.135	-0.324
H7	1.502	-1.669	-0.324
H8	-2.197	-0.467	-0.324

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.5792	1.6961	1.6961	1.6961	2.2957	2.2957	2.2957
O2	1.5792		2.8030	2.8030	2.8030	3.0451	3.0451	3.0451
O3	1.6961	2.8030		2.6020	2.6020	0.9894	3.5227	2.9659
O4	1.6961	2.8030	2.6020		2.6020	2.9659	0.9894	3.5227
O5	1.6961	2.8030	2.6020	2.6020		3.5227	2.9659	0.9894
H6	2.2957	3.0451	0.9894	2.9659	3.5227		3.8893	3.8893
H7	2.2957	3.0451	3.5227	0.9894	2.9659	3.8893		3.8893
H8	2.2957	3.0451	2.9659	3.5227	0.9894	3.8893	3.8893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	114.935	P1	O4	H7	114.935
P1	O5	H8	114.935	O2	P1	O3	117.658
O2	P1	O4	117.658	O2	P1	O5	117.658
O3	P1	O4	100.182	O3	P1	O5	100.182
O4	P1	O5	100.182

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

using model chemistry: LSDA/6-31G

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	1.146
2	O	-0.521
3	O	-0.643
4	O	-0.643
5	O	-0.643
6	H	0.435
7	H	0.435
8	H	0.435

<r²>	125.513
(<r²>)^1/2	11.203

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

using model chemistry: LSDA/6-31G

States and conformations

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