:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00018:  18    0.325533    0.543053  1.00000000
:BAN00019:  19    0.426904    0.547116  1.00000000
:BAN00020:  20    0.426904    0.547116  1.00000000
:BAN00021:  21    0.510991    0.570407  1.00000000
:BAN00022:  22    0.510991    0.570407  1.00000000
:BAN00023:  23    0.549988    0.605363  1.00000000
:BAN00024:  24    0.549988    0.605363  1.00000000
:BAN00025:  25    0.839395    0.890944  0.94235397
:BAN00026:  26    0.839395    0.890944  0.94235397
:BAN00027:  27    0.876775    0.908322  0.05764603
:BAN00028:  28    0.876775    0.908322  0.05764603
:BAN00029:  29    0.887574    0.908322  0.00000000
:BAN00030:  30    0.887574    0.908322  0.00000000
:BAN00031:  31    0.906349    0.972798  0.00000000
:BAN00032:  32    0.906349    0.972798  0.00000000
:BAN00033:  33    0.938540    0.982636  0.00000000
        Energy to separate low and high energystates:    0.24249


:NOE  : NUMBER OF ELECTRONS          =  26.000

:FER  : F E R M I - ENERGY(TETRAH.M.)=   0.88131




:POS001: ATOM    1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY = 1  ZZ= 92.000  U         

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

:CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE   1 =     9.903163
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 1.9819 5.1897 0.4492 2.2676 0.0000 0.0000 0.0000 0.0986 0.3506 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:  1.9233 -2.3425    4.8208 -0.6310    0.0327 -0.5226    0.0145 -0.4950
        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:  0.0585  0.4119    0.3689  0.5046    0.4165  0.4491    2.2532  0.7683




:POS002: ATOM    2 POSITION = 0.25000 0.25000 0.25000  MULTIPLICITY = 2  ZZ=  8.000  O         

       LMMAX  6
       LM=   0 0  4 0  4 4  6 0  6 4 -3 2

:CHA002: TOTAL VALENCE CHARGE INSIDE SPHERE   2 =     6.456172
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8616 4.5042 0.0678 0.0162 0.0000 0.0000 0.0000 0.0197 0.0481 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
:EPL002:  1.8451 -0.5738    0.1455 -0.4994    0.0273 -0.6455    0.0087 -0.7278
        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:  0.0165  0.4624    4.3587  0.4820    0.0405  0.6413    0.0075  0.5661

:CHA  : TOTAL VALENCE CHARGE INSIDE UNIT CELL =      26.000000

:SUM  : SUM OF EIGENVALUES =          -3.258718904