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# Comparison of levels of theory for O-Al

Click on an entry for a histogram of the values.
The subscript refers to how many bonds of that type have been calculated.
average calculated bond lengths (Å)
 semi-empirical 1.55353 1.60623 1.54173 1.64563 1.64563 1.63473 1.69721 1.62773 1.65303

average calculated bond lengths (Å)
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z 1.63993 1.69993 1.65083 1.75433 1.64563 1.64563 1.65313 1.64553 1.64533 1.63033 1.68581 1.64903 1.68243 1.63933 1.63193 1.67003 1.63953 1.63203 1.68191 1.71951 1.69171 1.70441 1.70441 1.71651 1.70481 1.73751 1.70061 1.60163 1.64163 1.63173 1.68133 1.62673 1.62673 1.63333 1.62793 1.62793 1.61343 1.64793 1.62073 1.61452 1.64333 1.62132 1.61472 1.66163 1.63722 1.63333 1.62853 1.62203 1.68223 1.65273 1.70503 1.65873 1.65043 1.65873 1.65353 1.65353 1.63723 1.67083 1.64633 1.66941 1.60223 1.64393 1.63423 1.68813 1.62993 1.63033 1.63723 1.63143 1.63143 1.61823 1.65383 1.62573 1.61802 1.64712 1.62482 1.61832 1.60823 1.66803 1.63863 1.69253 1.63463 1.63463 1.64263 1.63683 1.63703 1.62213 1.62751 1.63883 1.65723 1.63093 1.62302 1.65293 1.63183 1.62533 1.62401 1.63463 1.63563 1.60523 1.66663 1.63693 1.68943 1.63113 1.63113 1.63783 1.63233 1.63243 1.61893 1.65453 1.62673 1.65071 1.60233 1.66383 1.63423 1.68753 1.62803 1.62803 1.63473 1.62913 1.62913 1.61583 1.65203 1.62363 1.64861 1.63313 1.62193 1.61673 1.68063 1.65002 1.70152 1.64623 1.64623 1.65333 1.64793 1.64793 1.63333 1.63511 1.66803 1.64123 1.63482 1.63532 1.63141 1.64651 1.62893 1.66513 1.62953 1.63643 1.62493 1.64513 1.65153 1.63573 1.64293 1.63433 1.63723 1.64523 1.63953 1.64173 1.64523 1.63623 1.63733 1.68293 1.65363 1.68093 1.65193 1.57703 1.66963 1.64273 1.69133 1.62963 1.63253 1.62933 1.62663 1.62943 1.61943 1.63303 1.65473 1.62383 1.61733 1.64973 1.62713 1.61721 1.60761 1.58033 1.67053 1.63032 1.66602 1.63323 1.63323 1.62993 1.62943 1.62953 1.61372 1.65533 1.61752 1.59903 1.65541 1.59011 1.64293 1.64503 1.64063 1.65383 1.92082 1.65473 1.64782 1.63533 1.62793 1.62131 1.63443 1.66421 1.63361 1.63851 1.65342 1.62992 1.67752 1.63973 1.63553 1.67232 1.64162 1.69802 1.64203 1.62832 1.70473 1.66782 1.73542 1.65593 1.65722 1.66223 1.65033 1.65033 1.63802 1.68223 1.64273 1.63281 1.65662 1.68302 1.64352 1.67782 1.64662 1.65382 1.63262 1.67632 1.64303 1.62932 1.63842 1.63893 1.62552 1.61762 1.64832 1.62212 1.65002 1.62522 1.64703 1.65421 1.65411 1.67682 1.63953 1.61351 1.67352 1.64202 1.65162 1.61812

average calculated bond lengths (Å)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD 1.75963 1.64623 1.76253 1.65273 1.73833 1.73783 1.69091 1.63571 1.69143 1.63603 1.69463 1.64113 1.67963 1.67913 1.69163 1.62593 1.66222 1.62753 1.68553 1.68193
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.