#! UHF-CCSD(T)/cc-pVDZ $^{3}B@@1$ CH2 geometry optimization via analytic gradients

memory 250 mb

molecule ch2 {
  0 3
  C
  H 1 1.1
  H 1 1.1 2 109.0
}

set globals {
  reference uhf
  basis cc-pvdz
  dertype first
  # The next 3 options control the geometry optimization tolerances
  max_disp_g_convergence  1e-6
  max_force_g_convergence 1.0e-6
  max_energy_g_convergence    7
  e_convergence 10
  r_convergence 10
}

optimize('CCSD(T)')


