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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XIXIndex of properties
XXH-bond dimers
XXIOddities
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for NH2F (monofluoroamine)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
8.78179 0.87919 0.84490
Rotational Constants from 1987Chr/Min:7020
Calculated rotational constants for NH2F (monofluoroamine).

Point Group Cs

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNF 1.433 1 2 1987Chr/Min:7020 r0
rNH 1.023 1 3 1987Chr/Min:7020
aHNF 101.08 2 1 3 1987Chr/Min:7020
aHNH 106.27 3 1 4 1987Chr/Min:7020
picture of monofluoroamine

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-F 1
H-N 2

Atom x (Å) y (Å) z (Å)
N1 0.0646 0.6946 0.0000
F2 0.0646 -0.7383 0.0000
H3 -0.5165 0.8911 0.8181
H4 -0.5165 0.8911 -0.8181

Atom - Atom Distances (Å)

  N1 F2 H3 H4
N11.43291.02251.0225
F21.43291.91361.9136
H31.02251.91361.6361
H41.02251.91361.6361

Calculated geometries for NH2F (monofluoroamine).
References
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squib reference DOI
1987Chr/Min:7020 D Christen, R Minkwitz, R Nass "Microwave Spectrum, Inversion, and Molecular Structure of Monofluoroamine, FNH2" J. Am. Chem. Soc. 1987, 109, 7020-7024 10.1021/ja00257a019

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