:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00004:   4   -0.788148   -0.734828  1.00000000
:BAN00005:   5   -0.621400   -0.538749  1.00000000
:BAN00006:   6   -0.621400   -0.538749  1.00000000
:BAN00007:   7   -0.593676   -0.538749  1.00000000
:BAN00008:   8   -0.593676   -0.538749  1.00000000
:BAN00009:   9    0.386190    0.591275  1.00000000
:BAN00010:  10    0.386190    0.591275  1.00000000
:BAN00011:  11    0.525050    0.638663  0.97018143
:BAN00012:  12    0.525050    0.638663  0.97018143
:BAN00013:  13    0.620465    0.646960  0.02981857
:BAN00014:  14    0.620465    0.646960  0.02981857
:BAN00015:  15    0.642345    0.651369  0.00000000
:BAN00016:  16    0.642345    0.651369  0.00000000
:BAN00017:  17    0.648139    0.667626  0.00000000
:BAN00018:  18    0.648139    0.667626  0.00000000
:BAN00019:  19    0.662804    0.693112  0.00000000
        Energy to separate low and high energystates:    0.33619


:NOE  : NUMBER OF ELECTRONS          =  12.000

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.62598




:POS001: AT.NR.   1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1

       LMMAX  5
       LM=   0 0  4 0  4 4  6 0  6 4

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     8.963223
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0100 5.2826 0.7299 0.9402 0.0000 0.0000 0.0000 0.2605 0.4694 0.0000 0.0000 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:  1.9139 -1.9131    5.2078 -0.6507    0.0020 -0.6555    0.0006 -0.6383
        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:  0.0961  0.5229    0.0747  0.5639    0.7279  0.5672    0.9396  0.6055

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      12.000000

:SUM  : SUM OF EIGENVALUES =          -5.451857086