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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	-417.950550
Energy at 298.15K
HF Energy	-417.408605
Nuclear repulsion energy	62.161871

Atom	x (Å)	y (Å)	z (Å)
P1	-0.106	-0.563	0.000
O2	-0.106	1.079	0.000
H3	0.761	1.480	0.000
H4	0.836	-0.834	1.020
H5	0.836	-0.834	-1.020

	P1	O2	H3	H4	H5
P1		1.6423	2.2188	1.4143	1.4143
O2	1.6423		0.9545	2.3641	2.3641
H3	2.2188	0.9545		2.5298	2.5298
H4	1.4143	2.3641	2.5298		2.0394
H5	1.4143	2.3641	2.5298	2.0394

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
P1	O2	H3	114.797		O2	P1	H4	101.061
O2	P1	H5	101.061		H4	P1	H5	92.271

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	hartrees
Energy at 0K	-417.950723
Energy at 298.15K
HF Energy	-417.408462
Nuclear repulsion energy	62.108163

Atom	x (Å)	y (Å)	z (Å)
P1	0.039	-0.568	0.000
O2	0.039	1.082	0.000
H3	0.934	1.410	0.000
H4	-0.910	-0.776	1.020
H5	-0.910	-0.776	-1.020

	P1	O2	H3	H4	H5
P1		1.6499	2.1712	1.4085	1.4085
O2	1.6499		0.9537	2.3223	2.3223
H3	2.1712	0.9537		3.0365	3.0365
H4	1.4085	2.3223	3.0365		2.0406
H5	1.4085	2.3223	3.0365	2.0406

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

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