# DF-CCSD(T)/aug-cc-pVTZ via DF-OCC at MP2/aug-cc-pVTZ minimum memory 24000 mb molecule cpb_cf2 { 0 1 C 0.0000000000 0.8626280911 0.0403085478 C 0.7497120656 -0.4489921999 -0.0334922091 C -0.7497120656 -0.4489921999 -0.0334922091 C 0.0000000000 1.6508620696 1.2922240898 H 1.2571557963 -0.7620457140 0.8675378705 H -1.2571557963 -0.7620457140 0.8675378705 H 0.0000000000 1.4550523805 -0.8651240678 H 1.2582773732 -0.6826950572 -0.9568627285 H -1.2582773732 -0.6826950572 -0.9568627285 C 0.0000000000 1.0433018422 2.5538941845 C 0.0000000000 1.8099757906 3.7165639455 C 0.0000000000 3.2022720782 3.6413368353 C 0.0000000000 3.8197666464 2.3922585512 C 0.0000000000 3.0486107749 1.2317644941 H 0.0000000000 -0.0375706541 2.6365657660 H 0.0000000000 1.3191193551 4.6814994999 H 0.0000000000 3.7973272279 4.5450165851 H 0.0000000000 4.8999076833 2.3202208733 H 0.0000000000 3.5344416522 0.2627318266 } set globals { basis aug-cc-pVTZ freeze_core true cc_type df qc_module occ } set scf { scf_type df df_fitting_condition 1.0e-13 e_convergence 1e-9 d_convergence 1e-9 s_tolerance 1e-6 } set dfocc { wfn_type DF-CCSD(T) orb_opt false e_convergence 1e-7 r_convergence 1e-6 } energy('ccsd(t)')