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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 cis
1910171554
InChI=1S/H3OP/c1-2/h1H,2H2 INChIKey=RYIOLWQRQXDECZ-UHFFFAOYSA-N
MP2=FULL/6-31G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| P1 |
0.0372 |
-0.5762 |
0.0000 |
|
-0.5772 |
-0.0156 |
0.0000 |
| O2 |
0.0372 |
1.1046 |
0.0000 |
|
1.0966 |
0.1380 |
0.0000 |
| H3 |
0.9602 |
1.4044 |
0.0000 |
|
1.3108 |
1.0845 |
0.0000 |
| H4 |
-0.9081 |
-0.7991 |
1.0302 |
|
-0.7128 |
-0.9773 |
1.0302 |
| H5 |
-0.9081 |
-0.7991 |
-1.0302 |
|
-0.7128 |
-0.9773 |
-1.0302 |
Atom - Atom Distances (Å)
| |
P1 |
O2 |
H3 |
H4 |
H5 |
| P1 |
| 1.6808 |
2.1851 |
1.4159 |
1.4159 |
| O2 |
1.6808 |
|
0.9705 |
2.3620 |
2.3620 |
| H3 |
2.1851 |
0.9705 |
| 3.0671 |
3.0671 |
| H4 |
1.4159 |
2.3620 |
3.0671 |
| 2.0605 |
| H5 |
1.4159 |
2.3620 |
3.0671 |
2.0605 |
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Maximum atom distance is 3.0671Å
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 |
107.995 |
|
O2 |
P1 |
H4 |
99.056 |
|
O2 |
P1 |
H5 |
99.056 |
|
H4 |
P1 |
H5 |
93.378 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.