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RO=O , Å | RO=O , Å | |
HF, STO-3G | 1.222 | 1.217 |
HF, 3-21G | 1.242 | 1.240 |
HF, 6-31G | 1.193 | 1.195 |
DFT, B3LYP, STO-3G | 1.290 | 1.285 |
DFT, B3LYP, 3-21G | 1.305 | 1.301 |
DFT, B3LYP, 6-31G | 1.258 | 1.255 |
DFT, 6-31*(d)G | 1.216 | 1.215 |
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