DC=FALSE SCC=(THIRDFULL=TRUE DAMPXH=TRUE DAMPXHZETA=4.0 LC=false ECONV=1e-06 DCONV=1e-06) DCDFTB input generated from CMMDE code 2 H 1 -0.1857 H-H.skf H-O.skf O 2 -0.1575 O-H.skf O-O.skf 3 0 1 O 1.06039208661799 -0.06862963897137 -0.04342373123110 H 2.01940514162871 -0.04988635406523 -0.04223721897876 H 0.75843277175331 0.83996599303660 0.01431095020986