# opt freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix Title 0 2 C -0.1494396 -0.2801992 0.0000000 C 1.2457204 -0.2801992 0.0000000 C 1.9432584 0.9275518 0.0000000 C 1.2456044 2.1360608 -0.0011990 C -0.1492206 2.1359828 -0.0016780 C -0.8468216 0.9277768 -0.0006820 H -0.6991986 -1.2325162 0.0004500 H 1.7952284 -1.2327122 0.0013150 H 3.0429384 0.9276318 0.0006340 H -0.6993426 3.0882638 -0.0026310 H -1.9464256 0.9279598 -0.0008620