Basis Sets

AICCM can read bais sets in Turbomole and CRYSTAL format. They have to be in one monolithic file like :

>>>
$basis
*
h   STO-3G
*
    3  s
      3.42525091             0.15432897
      0.62391373             0.53532814
      0.16885540             0.44463454
*
he   STO-3G
*
    3  s
      6.36242139             0.15432897
      1.15892300             0.53532814
      0.31364979             0.44463454
*
li   STO-3G
*
    3  s
     16.1195750              0.15432897
      2.9362007              0.53532814
      0.7946505              0.44463454
    3  s
      0.6362897             -0.09996723
      0.1478601              0.39951283
      0.0480887              0.70011547
    3  p
      0.6362897              0.15591627
      0.1478601              0.60768372
      0.0480887              0.39195739

pob-TZVP

The pob-TZVP basis sets can be downloaded from the Basis Set Folder.

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