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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 N2O (Nitrous oxide)
1Σ C*V
1910171554
InChI=1S/N2O/c1-2-3 INChIKey=GQPLMRYTRLFLPF-UHFFFAOYSA-N
B2PLYP=FULL/STO-3G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
N1 |
0.0000 |
0.0000 |
-1.3136 |
N2 |
0.0000 |
0.0000 |
-0.0663 |
O3 |
0.0000 |
0.0000 |
1.2074 |
Atom - Atom Distances (Å)
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N1 |
N2 |
O3 |
N1 |
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1.2473 |
2.5209 |
N2 |
1.2473 |
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1.2737 |
O3 |
2.5209 |
1.2737 |
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Maximum atom distance is 2.5209Å
between atoms N1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
N1 |
N2 |
O3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.