***,Naphthalene CCSD(T)-F12b/cc-pVTZ-F12 ! Geometry: https://pubchem.ncbi.nlm.nih.gov/compound/931 ! PubChem CID 931, symmetrized to D2h memory,1000,m geometry={ C 0.0000 0.7076 0.0000 C 0.0000 -0.7076 0.0000 C 1.2250 1.3944 0.0000 C 1.2250 -1.3944 0.0000 C -1.2250 1.3944 0.0000 C -1.2250 -1.3944 0.0000 C 2.4327 0.6959 0.0000 C 2.4327 -0.6959 0.0000 C -2.4327 0.6959 0.0000 C -2.4327 -0.6959 0.0000 H 1.2489 2.4821 0.0000 H 1.2489 -2.4821 0.0000 H -1.2489 2.4821 0.0000 H -1.2489 -2.4821 0.0000 H 3.3732 1.2391 0.0000 H 3.3732 -1.2391 0.0000 H -3.3732 1.2391 0.0000 H -3.3732 -1.2391 0.0000 } basis=cc-pVTZ-F12 hf ccsd(t)-f12b