Input:
{{
$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
}}
Input:
{{
$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
}}
Electronic states of IBr+ from IBr as reference (last edited 2016-09-22 00:58:19 by lzd)