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All results from a given calculation for ND2 (Amidogen-d2)

using model chemistry: MP3=FULL/6-31+G**

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2V 2B1
Energy calculated at MP3=FULL/6-31+G**
 hartrees
Energy at 0K-55.734396
Energy at 298.15K 
HF Energy-55.567973
Nuclear repulsion energy7.566561
The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.
Vibrational Frequencies calculated at MP3=FULL/6-31+G**
Rotational Constants (cm-1) from geometry optimized at MP3=FULL/6-31+G**
ABC
13.52701 6.44586 4.36558

See section I.F.4 to change rotational constant units
Geometric Data calculated at MP3=FULL/6-31+G**

Point Group is C2v

Cartesians (Å)
Atom x (Å) y (Å) z (Å)
N1 0.000 0.000 0.140
H2 0.000 0.808 -0.488
H3 0.000 -0.808 -0.488

Atom - Atom Distances (Å)
  N1 H2 H3
N11.02321.0232
H21.02321.6158
H31.02321.6158

picture of Amidogen-d2 state 1 conformation 1
More geometry information
Calculated Bond Angles
atom1 atom2 atom3 angle atom1 atom2 atom3 angle
H2 N1 H3 104.289
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability