OCCUPATION NUMBER ASSIGNMENT MENU ( #e=60 #c=0 #o=0) s : CHOOSE UHF SINGLET OCCUPATION t : CHOOSE UHF TRIPLET OCCUPATION u <int> : CHOOSE UHF WITH <int> UNPAIRED ELECTRONS l <list> : PRINT MO'S FROM EHT IN <list>, (DEFAULT=ALL) p <index> : PRINT MO-COEFFICIENTS OF SHELL <index> c <list> : CHOOSE SHELLS IN <list> TO BECOME CLOSED SHELLS o <index> : CHOOSE SHELL <index> TO BECOME AN RHF OPEN SHELL a <list> : CHOOSE SHELLS IN <list> TO BECOME UHF ALPHA SHELLS b <list> : CHOOSE SHELLS IN <list> TO BECOME UHF BETA SHELLS v <list> : CHOOSE SHELLS IN <list> TO BECOME EMPTY SHELLS & : REPEAT THE EXTENDED HUECKEL CALCULATION * : SAVE OCCUPATION NUMBERS & GO TO NEXT ITEM dis : GEOMETRY DISPLAY COMMANDS e : CALCULATE EHT-ENERGY f : FURTHER ADVICE <int> = INTEGER <index> = INDEX OF MO-SHELL ACCORDING TO COMMAND s <list> = LIST OF MO-SHELL INDICES (LIKE 1-5,7-8,11)