# Cyclopropyl Benzene Conf 2 (Perpendicular)
# DF-FNO-CCSD(T) via FNOCC at MP2/aug-cc-pVTZ minimum

memory 36000 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
  dertype     none
  scf_type    df
  cc_type     df
}

set scf {
  e_convergence 1.0e-9
}

set fnocc {
  e_convergence 1.0e-7
  r_convergence 1.0e-8
}

energy('fno-ccsd(t)')