Jump to
S2C1
Energy calculated at CID/3-21G*
| hartrees |
Energy at 0K | -2224.283758 |
Energy at 298.15K | |
HF Energy | -2224.186566 |
Nuclear repulsion energy | 11.236103 |
The energy at 298.15K was derived from the energy at 0K
and an integrated heat capacity that used the calculated vibrational frequencies.
Geometric Data calculated at CID/3-21G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
As1 |
0.000 |
0.000 |
0.046 |
H2 |
0.000 |
0.000 |
-1.508 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CID/3-21G*
| hartrees |
Energy at 0K | -2224.225545 |
Energy at 298.15K | -2224.223852 |
HF Energy | -2224.112842 |
Nuclear repulsion energy | 11.278984 |
The energy at 298.15K was derived from the energy at 0K
and an integrated heat capacity that used the calculated vibrational frequencies.
Geometric Data calculated at CID/3-21G*
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
As1 |
0.000 |
0.000 |
0.046 |
H2 |
0.000 |
0.000 |
-1.503 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability