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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 N2 (Nitrogen diatomic)
1Σg D*H
1910171554
InChI=1S/N2/c1-2 INChIKey=IJGRMHOSHXDMSA-UHFFFAOYSA-N
mPW1PW91/cc-pVTZ
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
N1 |
0.0000 |
0.0000 |
0.5445 |
N2 |
0.0000 |
0.0000 |
-0.5445 |
Atom - Atom Distances (Å)
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N1 |
N2 |
N1 |
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1.0890 |
N2 |
1.0890 |
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Maximum atom distance is 1.0890Å
between atoms N1 and N2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.