run_job Job: RHF basis=6-31g* -------------------------------- Threads: 18 (OpenMP shared-memory parallelism) Output file: /examples/molecular/output-h2o-rhf.out Starting molecular SCF (RHF). Per-iteration progress runs in compiled C++ and is not streamed live; the trace will be written when the SCF returns. SCF converged in 11 iterations; E = -76.0036001933 Ha [write_molden] - output-h2o-rhf.molden [write_molden] done ( 0.5ms) [write_population] - output-h2o-rhf.population.txt [write_population] done ( 1.0ms) [write_xyz] - output-h2o-rhf.xyz [write_xyz] done ( 0.2ms) Job total 0.06s -- output written to /examples/molecular/output-h2o-rhf.out