:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.155804    0.210451  2.00000000
:BAN00023:  23    0.181377    0.225107  2.00000000
:BAN00024:  24    0.209460    0.291447  2.00000000
:BAN00025:  25    0.239118    0.291447  2.00000000
:BAN00026:  26    0.239714    0.322481  2.00000000
:BAN00027:  27    0.264955    0.329455  2.00000000
:BAN00028:  28    0.273389    0.371295  1.96220277
:BAN00029:  29    0.314653    0.400541  1.89150850
:BAN00030:  30    0.315593    0.413788  1.81826950
:BAN00031:  31    0.346270    0.471389  0.21219576
:BAN00032:  32    0.346833    0.484759  0.11582346
:BAN00033:  33    0.420702    0.591317  0.00000000
:BAN00034:  34    0.420817    0.591317  0.00000000
:BAN00035:  35    0.678283    0.857386  0.00000000
:BAN00036:  36    0.679615    0.877210  0.00000000
:BAN00037:  37    0.699386    0.914649  0.00000000
        Energy to separate low and high energystates:   -0.04398


:NLDA  : NUMBER OF ELECTRONS          =  60.000

:FLDA  : F E R M I - ENERGY           =   0.86544




: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           =   0.46499

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.272335
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.4503 6.5194 6.2605 0.0328 2.1654 4.3541 0.0000 1.3584 1.1957 1.2967 2.4097 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:  0.0800 -0.4410    6.0621 -3.4872    0.0597 -0.4571    0.0064 -0.7422
        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:  0.3703  0.1294    0.4574  0.1819    6.2008  0.3014    0.0265  0.2241
:VZZ001: EFG INSIDE SPHERE   1 =    -0.334107      UP TO R =   2.50000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.027181
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.2768 1.7561 9.9766 0.0152 0.6054 1.1507 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:  1.1504 -0.3969    0.0145 -0.4421    9.9222 -2.2561    0.0002 -2.1048
        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:  0.1264  0.1497    1.7416  0.1772    0.0544  0.2600    0.0150  0.2923
:VZZ002: EFG INSIDE SPHERE   2 =    -8.439749      UP TO R =   2.29000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =         -83.088464512