:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5


:NLDA  : NUMBER OF ELECTRONS          =  16.000

:FLDA  : F E R M I - ENERGY           =   0.00000




:POS001: AT.NR.   1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1

       LMMAX  5
       LM=   0 0  4 0  4 4  6 0  6 4


:NOE  : NUMBER OF ELECTRONS          =  16.000

:FER  : F E R M I - ENERGY           =   0.95585

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.048836
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.1242 5.2713 0.7013 4.9481 0.0000 0.0000 0.0000 0.2629 0.4515 0.0000 0.0000 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL001:  1.9624 -2.3660    5.1629 -0.4237    0.0160 -0.2609    0.0052 -0.2939
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH001:  0.1618  0.8100    0.1084  0.8854    0.6854  0.8723    4.9429  0.9964

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      16.000000

:SUM  : SUM OF EIGENVALUES =           0.415380212

:XSUM : SUM OF EIGENVALUES =          -1.010109634