National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

NIST policy on privacy, security, and accessibility.

Please rate our products
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to

return to home page

II.A.1. (XV.A.)

Listing of experimental data for HCONH2CN2H4 (formamide aminomethanimine dimer)

InChI=1S/C2H7N3O/c1-3-7-5-2-6-8-4-1/h1-5H/b3-1- QJIDZIDMDYHMLH-IWQZZHSRSA-N NC=N.NC=O
State Conformation
1A C1
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

Calculated vibrational frequencies for HCONH2CN2H4 (formamide aminomethanimine dimer).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for HCONH2CN2H4 (formamide aminomethanimine dimer).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of formamide aminomethanimine dimer

Point Group Cs

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4


Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å


Calculated geometries for HCONH2CN2H4 (formamide aminomethanimine dimer).

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 2
H-N 5
H.O 1
H.N 1
C-N 2
C=N 1
C=O 1


Atom 1 Atom 2
H1 N2
H1 N3
N2 C4
N2 H9
N3 C6
N3 H11
C4 O5
C4 H10
O5 H8
C6 N7
C6 H12
N7 H8
N7 H13
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for HCONH2CN2H4 (formamide aminomethanimine dimer).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for HCONH2CN2H4 (formamide aminomethanimine dimer).