------------------------------------------------------------- ----------------------- !PROPERTIES! ------------------------ ------------------------------------------------------------- # ----------------------------------------------------------- $ PAL_Flags description: The PAL Flags geom. index: 1 prop. index: 1 Diskflag: 2 # ----------------------------------------------------------- $ SCF_Energy description: The SCF energy geom. index: 1 prop. index: 1 SCF Energy: -234.0416353284 # ------------------------------------------------------------- ----------------------- !GEOMETRIES! ------------------------ # ------------------------------------------------------------- ------------------------ !GEOMETRY! ------------------------- Number of atoms: 18 Geometry Index: 1 Coordinates: 0 C -1.094062546100 -0.974934344000 0.203131434500 1 C 0.293502622800 -1.426929934000 -0.257806048900 2 C -0.293502221400 1.426930665700 0.257795752200 3 C 1.094066635700 0.974934535200 -0.203130495700 4 C 1.386825591400 -0.467186459100 0.217202903600 5 C -1.386829525700 0.467184157200 -0.217202462600 6 H -1.458966328600 0.516085182200 -1.309305844500 7 H -2.359076196600 0.782435420400 0.169789282700 8 H -0.498558105900 2.438764220000 -0.100750321900 9 H -0.310192397900 1.478158048700 1.352045689300 10 H 0.498556969900 -2.438766776200 0.100733363300 11 H 0.310189173900 -1.478150454500 -1.352055538300 12 H -1.860019000100 -1.645933994100 -0.193708223800 13 H -1.153064824000 -1.050671426800 1.294491994700 14 H 2.359079934100 -0.782437334200 -0.169773555900 15 H 1.458946720400 -0.516087327700 1.309307442900 16 H 1.153083958100 1.050677705900 -1.294489509200 17 H 1.860019540500 1.645928115700 0.193724137800