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[½»Á÷] ¡¾ÇóÖú¡¿CASSCF ¼ÆËãÖÐÓöµ½Ò»¸öÎÊÌâ

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                    EIGENVALUES AND  EIGENVECTORS OF CI MATRIX



   ( 1)     EIGENVALUE    -320.5104390152
(    1) 1.0000000 (   50) 0.0000000 (   49) 0.0000000 (   48) 0.0000000 (   47) 0.0000000 (   46) 0.0000000 (   45) 0.0000000
(   44) 0.0000000 (   43) 0.0000000 (   42) 0.0000000 (   41) 0.0000000 (   40) 0.0000000 (   39) 0.0000000 (   38) 0.0000000
(   37) 0.0000000 (   36) 0.0000000 (   35) 0.0000000 (   34) 0.0000000 (   33) 0.0000000 (   32) 0.0000000 (   31) 0.0000000
(   30) 0.0000000 (   29) 0.0000000 (   28) 0.0000000 (   27) 0.0000000 (   26) 0.0000000 (   25) 0.0000000 (   24) 0.0000000
(   23) 0.0000000 (   22) 0.0000000 (   21) 0.0000000 (   20) 0.0000000 (   19) 0.0000000 (   18) 0.0000000 (   17) 0.0000000
(   16) 0.0000000 (   15) 0.0000000 (   14) 0.0000000 (   13) 0.0000000 (   12) 0.0000000 (   11) 0.0000000 (   10) 0.0000000
(    9) 0.0000000 (    8) 0.0000000 (    7) 0.0000000 (    6) 0.0000000 (    5) 0.0000000 (    4) 0.0000000 (    3) 0.0000000
(    2) 0.0000000 (
Final one electron symbolic density matrix:
                1             2             3             4             5
      1  0.200000D+01
      2  0.000000D+00  0.200000D+01
      3  0.000000D+00  0.000000D+00  0.200000D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.200000D+01
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      6  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      7  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      8  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      9  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
                6             7             8             9
      6  0.100000D+01
      7  0.000000D+00  0.000000D+00
      8  0.000000D+00  0.000000D+00  0.000000D+00
      9  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
First nversion failed in PSolv.
Error termination via Lnk1e in G:\G09W\l510.exe at Fri Apr 08 19:52:44 2011.
Job cpu time:  0 days  1 hours 16 minutes 51.0 seconds.
File lengths (MBytes):  RWF=   2037 Int=      0 D2E=      0 Chk=      1 Scr=      1

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