molecule dimer { 0 1 O 0.500000 1.638000 0.800000 H -0.461000 1.462000 0.604000 C 1.321000 0.790000 -0.056000 H 0.992000 0.856000 -1.099000 C 1.163000 -0.673000 0.399000 H 1.107000 -0.716000 1.499000 O -0.039000 -1.268000 -0.177000 C -1.307000 -0.941000 0.359000 O -1.646000 0.424000 -0.060000 C -3.001000 0.910000 0.264000 C -3.041000 2.339000 -0.258000 H -2.840000 2.338000 -1.336000 H -4.038000 2.754000 -0.080000 O -2.053000 3.116000 0.475000 H -1.393000 3.555000 -0.103000 C -4.011000 -0.045000 -0.373000 H -3.919000 -0.006000 -1.468000 O -5.329000 0.376000 0.043000 H -5.968000 -0.317000 -0.226000 C -3.733000 -1.477000 0.083000 O -4.713000 -2.313000 -0.579000 H -4.519000 -3.250000 -0.373000 C -2.312000 -1.901000 -0.265000 H -2.169000 -1.869000 -1.353000 O -2.148000 -3.248000 0.239000 H -1.260000 -3.582000 -0.003000 O 2.194000 -1.520000 -0.111000 C 3.565000 -1.064000 0.190000 H 3.690000 -0.954000 1.275000 C 3.751000 0.285000 -0.505000 H 3.563000 0.163000 -1.582000 C 4.514000 -2.132000 -0.303000 H 4.202000 -2.450000 -1.308000 H 5.519000 -1.697000 -0.356000 O 4.461000 -3.233000 0.646000 C 2.757000 1.302000 0.049000 H 2.988000 1.468000 1.113000 O 5.101000 0.750000 -0.278000 H 5.134000 1.688000 -0.563000 O 2.977000 2.512000 -0.713000 H 2.306000 3.217000 -0.511000 H -3.134000 0.916000 1.354000 H -1.313000 -0.995000 1.458000 H -3.866000 -1.538000 1.174000 H 0.654000 3.228000 0.589000 -- 0 1 units angstrom O 0.799000 4.078000 0.068000 H 0.872000 4.859000 0.645000 H 5.010000 -3.976000 0.329000 } set { basis jun-cc-pVDZ scf_type DF MAXITER 1000 D_CONVERGENCE 1e-6 E_CONVERGENCE 1e-6 freeze_core True } set scf { soscf_max_iter 35 basis_guess true damping_percentage 10.0 } energy('sapt0')