Here is an example of simulated annealing:
DRC=50 bigcycles=1000 T-priority Formaldehyde, starting with the C=O bond stretched by ~0.2 Angstroms O 0.0 +0 0.0 +0 0.0 +0 C 1.4 +1 0.0 +0 0.0 +0 1 0 0 H 1.1 +1 121.0 +1 0.0 +0 2 1 0 H 1.1 +0 121.0 +0 180.0 +0 2 1 3As usual, the plus "+" signs are optional, the optimization flags will be ignored, and the coordinates will be converted to Cartesian at run-time.
DRC=50 - The half-life for cooling is 50 fs.
bigcycles=1000 - Restrict the run. If this keyword is not present, the job will produce a very large output.
T-priority - There are two common styles for monitoring a DRC, time and motion. In this case time is used.
See also: X-priority, H-priority