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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C2H6N2O2 (Dimethylnitroamine)

Other names
Dimethylamine, N-nitro-; Dimethylnitramin; Dimethylnitramine; Methanamine, N-methyl-N-nitro-; Dmnm; DMNO; Methanamine, N-methyl-N-nitro-; N,N-Dimethylnitramine; N-Nitrodimethylamine; N-Nitro-dma; s-N,N-Dimethyl nitramine; N,N-dimethylnitramide;
INChI
InChI=1/C2H6N2O2/c1-3(2)4(5)6/h1-2H3

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies		 Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   174  
Energy 298.15K   164  
Atomization Enthalpy 298.15K x160x
Atomization Enthalpy 0K  160 
Entropy (298.15K) entropy  152 
Entropy at any temperature   152  
Integrated Heat Capacity integrated heat capacity  151 
Heat Capacity (Cp) Heat capacity  151 
Nuclear Repulsion Energy   167  
HOMO-LUMO Energies HOMO energies   160  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  143  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  160 
Rotational Constants rotational constants  164 
Point Group  164 
Vibrations Vibrational Frequencies vibrations  163 
Vibrational Intensities  162 
Zero-point energies  163 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   146  
Dipole dipole  146 
Quadrupole quadrupole  144 
Polarizability polarizability  128 
Other results Spin   0  
Number of basis functions   23  
Diagnostics   3  
Conformations   1