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Ê×ÏÈ£¬ÓÃÁËguess=onlyµÃ³ö³õʼ²Â²â£¬ËµÃ÷ÊéÀïÊÇÕâÑùµÄ Initial guess orbital symmetries.      
       Alpha Orbitals:      
           Occupied (A1) (A1) (B2) (B1) (A1)
           Virtual  (A1) (B2)      
       Beta Orbitals:      
           Occupied (A1) (A1) (B2) (A1)      
           Virtual  (B1) (A1) (B2)
µ«ÊÇÎÒËãÁËÒ»ÏÂÈ´ÊÇ
Orbital symmetries:
Alpha Orbitals:
       Occupied  (A1) (A1) (B2) (A1) (B1)
       Virtual   (A1) (B2)
Beta  Orbitals:
       Occupied  (A1) (A1) (B2) (A1)
       Virtual   (B1) (A1) (B2)
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