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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS trans	¹A₁^'
1	2	yes	CS cis	¹A₁^'

	hartrees
Energy at 0K	-417.683427
Energy at 298.15K	-417.687550
HF Energy	-417.341274
Nuclear repulsion energy	60.657892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3856	3699	48.75
2	A'	2366	2270	112.04
3	A'	1164	1117	16.28
4	A'	1136	1090	40.44
5	A'	917	880	54.36
6	A'	798	765	115.79
7	A"	2368	2272	170.01
8	A"	917	880	19.46
9	A"	420	403	104.30

Atom	x (Å)	y (Å)	z (Å)
P1	-0.109	-0.578	0.000
O2	-0.109	1.115	0.000
H3	0.793	1.464	0.000
H4	0.853	-0.851	1.033
H5	0.853	-0.851	-1.033

	P1	O2	H3	H4	H5
P1		1.6930	2.2323	1.4377	1.4377
O2	1.6930		0.9665	2.4201	2.4201
H3	2.2323	0.9665		2.5360	2.5360
H4	1.4377	2.4201	2.5360		2.0666
H5	1.4377	2.4201	2.5360	2.0666

All results from a given calculation for H₂POH (Phosphinous acid)

using model chemistry: QCISD/cc-pVDZ

States and conformations

Conformer 1 (CS trans)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
P1	O2	H3	111.185		O2	P1	H4	100.939
O2	P1	H5	100.939		H4	P1	H5	91.898

All results from a given calculation for H2POH (Phosphinous acid)

using model chemistry: QCISD/cc-pVDZ

States and conformations

Conformer 1 (CS trans)

All results from a given calculation for H₂POH (Phosphinous acid)