Jump to
S2C1
Energy calculated at CID/6-31G
| hartrees |
Energy at 0K | -326.661667 |
Energy at 298.15K | -326.659871 |
HF Energy | -326.578894 |
Nuclear repulsion energy | 24.587102 |
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/6-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.542 |
C2 |
0.000 |
0.000 |
-1.266 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability
Jump to
S1C1
Energy calculated at CID/6-31G
| hartrees |
Energy at 0K | -326.617507 |
Energy at 298.15K | -326.615769 |
HF Energy | -326.457783 |
Nuclear repulsion energy | 26.023966 |
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/6-31G
Point Group is C∞v
Cartesians (Å)
Atom |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.000 |
0.000 |
0.512 |
C2 |
0.000 |
0.000 |
-1.196 |
Atom - Atom Distances (Å)
More geometry information
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability