|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for ONNO (NO dimer)
1Ag trans C2H
1910171554
InChI=1S/N2O2/c3-1-2-4 INChIKey=AZLYZRGJCVQKKK-UHFFFAOYSA-N
HF/6-311+G(3df,2p)
Point group is C2h
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
-0.3765 |
0.6551 |
0.0000 |
|
0.5946 |
-0.4662 |
0.0000 |
| N2 |
0.3765 |
-0.6551 |
0.0000 |
|
-0.5946 |
0.4662 |
0.0000 |
| O3 |
0.3765 |
1.5133 |
0.0000 |
|
1.5515 |
0.1564 |
0.0000 |
| O4 |
-0.3765 |
-1.5133 |
0.0000 |
|
-1.5515 |
-0.1564 |
0.0000 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
O3 |
O4 |
| N1 |
|
1.5112 |
1.1417 |
2.1684 |
| N2 |
1.5112 |
| 2.1684 |
1.1417 |
| O3 |
1.1417 |
2.1684 |
| 3.1188 |
| O4 |
2.1684 |
1.1417 |
3.1188 |
|
Maximum atom distance is 3.1188Å
between atoms O3 and O4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
O4 |
108.847 |
|
N2 |
N1 |
O3 |
108.847 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.