:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.082688    0.146923  2.00000000
:BAN00023:  23    0.101137    0.159655  2.00000000
:BAN00024:  24    0.121926    0.179562  2.00000000
:BAN00025:  25    0.157535    0.241773  2.00000000
:BAN00026:  26    0.202963    0.289239  2.00000000
:BAN00027:  27    0.223861    0.300963  2.00000000
:BAN00028:  28    0.226087    0.330469  1.99957830
:BAN00029:  29    0.270032    0.359447  1.92605856
:BAN00030:  30    0.270032    0.359447  1.85889054
:BAN00031:  31    0.307409    0.454395  0.11875618
:BAN00032:  32    0.307675    0.455602  0.09671641
:BAN00033:  33    0.393897    0.527848  0.00000000
:BAN00034:  34    0.393897    0.527848  0.00000000
:BAN00035:  35    0.588093    0.851810  0.00000000
:BAN00036:  36    0.695221    0.862276  0.00000000
:BAN00037:  37    0.771451    0.970875  0.00000000
        Energy to separate low and high energystates:   -0.08898


:NLDA  : NUMBER OF ELECTRONS          =  60.000

:FLDA  : F E R M I - ENERGY           =   0.83028




: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           =   0.42130

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.049687
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.3838 6.4380 6.1837 0.0345 2.1280 4.3100 0.0000 1.3850 1.2359 1.2380 2.3248 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:  0.0621 -0.6220    6.0473 -3.5327    0.0561 -0.6167    0.0065 -0.7525
        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:  0.3217  0.0515    0.3907  0.1033    6.1276  0.2523    0.0280  0.1463
:VZZ001: EFG INSIDE SPHERE   1 =     0.501788      UP TO R =   2.38000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.643090
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.4031 2.183110.0437 0.0108 0.7441 1.4391 0.0000 2.0086 2.0081 2.0072 4.0197 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:  1.3004 -0.5912    0.0145 -0.6870    9.9819 -3.1234    0.0002 -2.7294
        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:  0.1027  0.0781    2.1686  0.0996    0.0618  0.2131    0.0105  0.2523
:VZZ002: EFG INSIDE SPHERE   2 =    -4.469704      UP TO R =   2.11000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =        -103.166388687