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	hartrees
Energy at 0K	-639.292030
Energy at 298.15K	-639.298117
HF Energy	-638.787040
Nuclear repulsion energy	280.642648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3507	1.05
2	A	1433	1339	285.49
3	A	1030	963	193.74
4	A	922	861	34.24
5	A	510	477	56.26
6	A	287	269	205.41
7	E	3749	3503	140.34
7	E	3749	3503	140.34
8	E	1131	1057	129.18
8	E	1131	1057	129.18
9	E	956	894	355.17
9	E	956	894	355.17
10	E	491	459	130.69
10	E	491	459	130.69
11	E	401	374	20.30
11	E	401	374	20.30
12	E	149	139	108.75
12	E	149	139	108.75

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.120
O2	0.000	0.000	1.585
O3	0.000	1.425	-0.575
O4	1.234	-0.713	-0.575
O5	-1.234	-0.713	-0.575
H6	0.610	2.104	-0.223
H7	1.517	-1.580	-0.223
H8	-2.127	-0.524	-0.223

	P1	O2	O3	O4	O5	H6	H7	H8
P1		1.4647	1.5858	1.5858	1.5858	2.2169	2.2169	2.2169
O2	1.4647		2.5878	2.5878	2.5878	2.8396	2.8396	2.8396
O3	1.5858	2.5878		2.4687	2.4687	0.9780	3.3848	2.9063
O4	1.5858	2.5878	2.4687		2.4687	2.9063	0.9780	3.3848
O5	1.5858	2.5878	2.4687	2.4687		3.3848	2.9063	0.9780
H6	2.2169	2.8396	0.9780	2.9063	3.3848		3.7937	3.7937
H7	2.2169	2.8396	3.3848	0.9780	2.9063	3.7937		3.7937
H8	2.2169	2.8396	2.9063	3.3848	0.9780	3.7937	3.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	O3	H6	117.734	P1	O4	H7	117.734
P1	O5	H8	117.734	O2	P1	O3	116.001
O2	P1	O4	116.001	O2	P1	O5	116.001
O3	P1	O4	102.224	O3	P1	O5	102.224
O4	P1	O5	102.224

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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