:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.082041    0.146828  2.00000000
:BAN00023:  23    0.100395    0.157676  2.00000000
:BAN00024:  24    0.121172    0.179264  2.00000000
:BAN00025:  25    0.156355    0.239857  2.00000000
:BAN00026:  26    0.201273    0.287471  2.00000000
:BAN00027:  27    0.222294    0.299992  2.00000000
:BAN00028:  28    0.224494    0.328347  2.00000000
:BAN00029:  29    0.268118    0.358159  1.92518350
:BAN00030:  30    0.268120    0.358159  1.86106837
:BAN00031:  31    0.305568    0.453815  0.11782909
:BAN00032:  32    0.305833    0.455050  0.09591904
:BAN00033:  33    0.392222    0.527737  0.00000000
:BAN00034:  34    0.392222    0.527737  0.00000000
:BAN00035:  35    0.588179    0.851672  0.00000000
:BAN00036:  36    0.695015    0.862287  0.00000000
:BAN00037:  37    0.771292    0.970630  0.00000000
        Energy to separate low and high energystates:   -0.08917


:NLDA  : NUMBER OF ELECTRONS          =  60.000

:FLDA  : F E R M I - ENERGY           =   0.82878




: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           =   0.42221

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.045648
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.3851 6.4398 6.1765 0.0345 2.1286 4.3112 0.0000 1.3638 1.2251 1.2396 2.3479 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:  0.0624 -0.6213    6.0476 -3.5346    0.0564 -0.6157    0.0065 -0.7518
        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:  0.3227  0.0522    0.3922  0.1026    6.1201  0.2522    0.0281  0.1455
:VZZ001: EFG INSIDE SPHERE   1 =     0.480653      UP TO R =   2.38000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.646476
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.4031 2.186910.0434 0.0107 0.7443 1.4427 0.0000 2.0085 2.0080 2.0071 4.0198 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:  1.2991 -0.5904    0.0147 -0.6849    9.9819 -3.1211    0.0002 -2.7260
        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:  0.1040  0.0794    2.1722  0.0999    0.0615  0.2122    0.0105  0.2509
:VZZ002: EFG INSIDE SPHERE   2 =    -4.167721      UP TO R =   2.11000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =        -103.141710258