Ozone |
Dipole (Debye) | Bond length (Å) |
Bond angle (°) | Energy (Hartree) |
AM1 (RHF) |
1.151247 | -35.0736 |
||
AM1 (UHF) |
0.636197 | -35.0260 |
||
PM3 (RHF) |
1.140444 | -32.1024 |
||
PM3 (UHF) |
1.107291 | -30.0489 |
||
6-21G (RHF) |
0.720246 |
-223.9051 |
||
6-21G (UHF) |
0.423276 |
-233.9321 |
||
6-31G (RHF) | 0.556568 |
-244.1386 |
||
6-31G (UHF) | 0.462442 |
-224.1535 |
||
DZV (RHF) |
0.689765 |
-224.2084 |
||
DZV (UHF) |
0.482295 |
-224.2249 |
||
Literature |