:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.083529    0.151809  2.00000000
:BAN00023:  23    0.124527    0.191911  2.00000000
:BAN00024:  24    0.144250    0.191911  2.00000000
:BAN00025:  25    0.216012    0.306297  2.00000000
:BAN00026:  26    0.260590    0.342973  2.00000000
:BAN00027:  27    0.275610    0.351689  2.00000000
:BAN00028:  28    0.279833    0.401930  1.99127921
:BAN00029:  29    0.336277    0.405094  1.86597629
:BAN00030:  30    0.336277    0.414098  1.82305233
:BAN00031:  31    0.376980    0.486664  0.17801577
:BAN00032:  32    0.377527    0.486664  0.14167640
:BAN00033:  33    0.456139    0.550754  0.00000000
:BAN00034:  34    0.456294    0.550754  0.00000000
:BAN00035:  35    0.588612    0.865949  0.00000000
:BAN00036:  36    0.711606    0.872304  0.00000000
:BAN00037:  37    0.781218    0.983239  0.00000000
        Energy to separate low and high energystates:   -0.08400


:NOE  : NUMBER OF ELECTRONS          =  60.000

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.39198




: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 =    13.143186
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.3548 6.3954 6.3500 0.0333 2.1118 4.2837 0.0000 1.4305 1.3176 1.2042 2.3977 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:  0.0552 -0.6340    6.0416 -3.4582    0.0487 -0.6346    0.0063 -0.7663
        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:  0.2996  0.0414    0.3538  0.1567    6.3013  0.2822    0.0270  0.1649
:VZZ001: EFG INSIDE SPHERE   1 =     0.197140      UP TO R =   2.38000




:POS002: AT.NR.  -2 POSITION = 0.25000 0.25000 0.26730  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 =    13.594721
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.4068 2.127710.0454 0.0122 0.7300 1.3977 0.0000 2.0093 2.0092 2.0091 4.0178 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:  1.3280 -0.6042    0.0097 -0.7471    9.9821 -3.1581    0.0002 -2.8075
        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:  0.0788  0.1183    2.1180  0.1122    0.0633  0.2399    0.0120  0.3044
:VZZ002: EFG INSIDE SPHERE   2 =    -5.698532      UP TO R =   2.11000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      60.000000

:SUM  : SUM OF EIGENVALUES =        -102.406065932