DC=FALSE SCC=(THIRDFULL=TRUE DAMPXH=TRUE DAMPXHZETA=4.0 LC=false ECONV=1e-06 DCONV=1e-06) OPT=(MAXITER=1000 OPTTYPE=1) DCDFTB input generated from CMMDE code 4 O 2 -0.1575 O-O.skf O-N.skf O-C.skf O-H.skf N 2 -0.1535 N-O.skf N-N.skf N-C.skf N-H.skf C 2 -0.1492 C-O.skf C-N.skf C-C.skf C-H.skf H 1 -0.1857 H-O.skf H-N.skf H-C.skf H-H.skf 8 0 1 C 1.02750 0.06220 0.07258 O 0.41713 0.96572 -0.47632 N 0.41274 -0.96123 0.69434 N 2.37194 0.00549 0.10703 H -0.59789 -0.96174 0.69465 H 0.90681 -1.70927 1.14879 H 2.87777 0.75325 -0.34724 H 2.88290 -0.73421 0.55642