DC=FALSE SCC=(THIRDFULL=TRUE DAMPXH=TRUE DAMPXHZETA=4.0 LC=false ECONV=1e-06 DCONV=1e-06) DCDFTB input generated from CMMDE code 4 N 2 -0.1535 N-N.skf N-H.skf N-O.skf N-C.skf H 1 -0.1857 H-N.skf H-H.skf H-O.skf H-C.skf O 2 -0.1575 O-N.skf O-H.skf O-O.skf O-C.skf C 2 -0.1492 C-N.skf C-H.skf C-O.skf C-C.skf 8 0 1 C -3.93872 0.79423 0.00000 O -3.85062 2.01298 0.00000 N -5.15916 0.20881 0.00000 N -2.81516 0.03938 -0.00000 H -6.01484 0.78370 0.00000 H -5.25311 -0.81752 -0.00000 H -1.88569 0.48524 -0.00000 H -2.86978 -0.98979 -0.00000