:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.156007    0.210831  2.00000000
:BAN00023:  23    0.181742    0.225287  2.00000000
:BAN00024:  24    0.209798    0.292124  2.00000000
:BAN00025:  25    0.240055    0.292124  2.00000000
:BAN00026:  26    0.240641    0.323508  2.00000000
:BAN00027:  27    0.265812    0.330109  2.00000000
:BAN00028:  28    0.274243    0.372587  1.96333054
:BAN00029:  29    0.315737    0.401131  1.88766621
:BAN00030:  30    0.316713    0.414295  1.81796975
:BAN00031:  31    0.347457    0.471946  0.21380972
:BAN00032:  32    0.348018    0.485243  0.11722233
:BAN00033:  33    0.421732    0.591690  0.00000000
:BAN00034:  34    0.421840    0.591690  0.00000000
:BAN00035:  35    0.678584    0.857510  0.00000000
:BAN00036:  36    0.679914    0.877330  0.00000000
:BAN00037:  37    0.699695    0.914825  0.00000000
        Energy to separate low and high energystates:   -0.04392


:NLDA  : NUMBER OF ELECTRONS          =  60.000

:FLDA  : F E R M I - ENERGY           =   0.86650




:POS001: AT.NR.  -1 POSITION = 0.25000 0.75000 0.00000  MULTIPLICITY =  2

       LMMAX  8
       LM=   0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4




:POS002: AT.NR.  -2 POSITION = 0.25000 0.75000 0.00000  MULTIPLICITY =  2

       LMMAX 10
       LM=   0 0  1 0  2 0  3 0  4 0  4 4  5 0  5 4  6 0  6 4


:NOE  : NUMBER OF ELECTRONS          =  60.000

:FER  : F E R M I - ENERGY           =   0.46464

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.273327
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.4499 6.5191 6.2622 0.0328 2.1654 4.3537 0.0000 1.3526 1.1906 1.3008 2.4182 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:  0.0799 -0.4411    6.0620 -3.4858    0.0596 -0.4572    0.0064 -0.7423
        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:  0.3700  0.1294    0.4570  0.1826    6.2026  0.3025    0.0265  0.2250
:VZZ001: EFG INSIDE SPHERE   1 =    -0.334434      UP TO R =   2.50000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.027024
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.2769 1.7559 9.9766 0.0152 0.6055 1.1504 0.0000 1.9959 1.9936 1.9943 3.9928 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
:EPL002:  1.1506 -0.3970    0.0145 -0.4422    9.9222 -2.2563    0.0002 -2.1052
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH002:  0.1263  0.1499    1.7414  0.1777    0.0543  0.2612    0.0150  0.2934
:VZZ002: EFG INSIDE SPHERE   2 =    -8.518140      UP TO R =   2.29000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =         -83.056047303