Input:
$COMPASS Title CH2O+ Molecule test run Basis ano-rcc-vtzp Geometry I 0.0 0.0 0.0 Br 0.0 0.0 2.4 END geometry group c(1) $END $XUANYUAN scalar heff 3 soint hsoc 2 $END $SCF RHF charge 0 spin 1 $END $TRAINT orbi hforb $END $CCSDSO MEMMEGA 40000 itriple 0 ifdebug 0 maxTcyc 100 threshT 10 $END $EOMIPSO MEMMEGA 40000 nroots 8 0 0 0 0 0 0 0 ifdebug 0 $END