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

using model chemistry: MP2=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 MP2=FULL/6-31+G**
 hartrees
Energy at 0K-55.719126
Energy at 298.15K 
HF Energy-55.568010
Nuclear repulsion energy7.571621
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 MP2=FULL/6-31+G**
Rotational Constants (cm-1) from geometry optimized at MP2=FULL/6-31+G**
ABC
13.60783 6.43752 4.37012

See section I.F.4 to change rotational constant units
Geometric Data calculated at MP2=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 0.806 -0.489
H3 0.000 -0.806 -0.489

Atom - Atom Distances (Å)
  N1 H2 H3
N11.02281.0228
H21.02281.6126
H31.02281.6126

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 104.057
Electronic energy levels

Electronic state

Charges, Dipole, Quadrupole and Polarizability