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 O 2 -0.1575 O-O.skf O-H.skf H 1 -0.1857 H-O.skf H-H.skf 3 0 1 O -3.61600 1.68174 -0.00606 H -2.62668 1.64010 0.00408 H -3.90537 0.76163 0.21815