:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.149369    0.237422  2.00000000
:BAN00023:  23    0.209804    0.290214  2.00000000
:BAN00024:  24    0.217924    0.325514  2.00000000
:BAN00025:  25    0.288659    0.366493  2.00000000
:BAN00026:  26    0.309962    0.369654  2.00000000
:BAN00027:  27    0.334332    0.394647  2.00000000
:BAN00028:  28    0.335270    0.448047  1.99943483
:BAN00029:  29    0.397418    0.460224  1.79690793
:BAN00030:  30    0.397418    0.462689  1.65116131
:BAN00031:  31    0.428590    0.510814  0.35771162
:BAN00032:  32    0.429953    0.516652  0.19478432
:BAN00033:  33    0.481928    0.607808  0.00000000
:BAN00034:  34    0.486647    0.607808  0.00000000
:BAN00035:  35    0.689558    0.869617  0.00000000
:BAN00036:  36    0.693119    0.882139  0.00000000
:BAN00037:  37    0.720306    0.931187  0.00000000
        Energy to separate low and high energystates:   -0.03642


:NOE  : NUMBER OF ELECTRONS          =  60.000

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.44017




: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

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.373259
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.4081 6.4551 6.4687 0.0320 2.1418 4.3133 0.0000 1.4142 1.3238 1.2576 2.4731 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:  0.0677 -0.4517    6.0532 -3.3987    0.0489 -0.4818    0.0061 -0.7568
        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:  0.3404  0.1257    0.4019  0.2434    6.4197  0.3410    0.0259  0.2616
:VZZ001: EFG INSIDE SPHERE   1 =     0.294865      UP TO R =   2.50000




:POS002: AT.NR.  -2 POSITION = 0.25000 0.25000 0.27920  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

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    12.982787
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.2774 1.7086 9.9766 0.0174 0.5929 1.1157 0.0000 1.9962 1.9946 1.9955 3.9903 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:  1.1856 -0.4081    0.0090 -0.4763    9.9233 -2.2875    0.0002 -2.1272
        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:  0.0918  0.1879    1.6996  0.1976    0.0533  0.2916    0.0172  0.3485
:VZZ002: EFG INSIDE SPHERE   2 =   -10.061876      UP TO R =   2.29000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =         -81.875590909