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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for H2POH (Phosphinous acid)
1A1' CS trans
1910171554
InChI=1S/H3OP/c1-2/h1H,2H2 INChIKey=RYIOLWQRQXDECZ-UHFFFAOYSA-N
CCD/cc-pVTZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
P1 |
-0.1065 |
-0.5654 |
0.0000 |
|
-0.5663 |
-0.1014 |
0.0000 |
O2 |
-0.1065 |
1.0869 |
0.0000 |
|
1.0859 |
-0.1163 |
0.0000 |
H3 |
0.7703 |
1.4691 |
0.0000 |
|
1.4760 |
0.7570 |
0.0000 |
H4 |
0.8400 |
-0.8417 |
1.0259 |
|
-0.8341 |
0.8476 |
1.0259 |
H5 |
0.8400 |
-0.8417 |
-1.0259 |
|
-0.8341 |
0.8476 |
-1.0259 |
Atom - Atom Distances (Å)
|
P1 |
O2 |
H3 |
H4 |
H5 |
P1 |
| 1.6522 |
2.2154 |
1.4230 |
1.4230 |
O2 |
1.6522 |
|
0.9565 |
2.3808 |
2.3808 |
H3 |
2.2154 |
0.9565 |
| 2.5293 |
2.5293 |
H4 |
1.4230 |
2.3808 |
2.5293 |
| 2.0519 |
H5 |
1.4230 |
2.3808 |
2.5293 |
2.0519 |
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Maximum atom distance is 2.5293Å
between atoms H3 and H4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
P1 |
O2 |
H3 |
113.554 |
|
O2 |
P1 |
H4 |
101.198 |
O2 |
P1 |
H5 |
101.198 |
|
H4 |
P1 |
H5 |
92.269 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.