:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00012:  12    0.470102    0.706214  1.00000000
:BAN00013:  13    0.577043    0.763312  1.00000000
:BAN00014:  14    0.577043    0.763312  1.00000000
:BAN00015:  15    0.583479    0.844386  1.00000000
:BAN00016:  16    0.583479    0.844386  1.00000000
:BAN00017:  17    0.787516    1.008114  1.00000000
:BAN00018:  18    0.787516    1.008114  1.00000000
:BAN00019:  19    0.955131    1.043521  0.49878537
:BAN00020:  20    0.955131    1.043521  0.49878537
:BAN00021:  21    1.022440    1.051150  0.00121463
:BAN00022:  22    1.022440    1.051150  0.00121463
:BAN00023:  23    1.054079    1.109476  0.00000000
:BAN00024:  24    1.054079    1.109476  0.00000000
:BAN00025:  25    1.093930    1.139699  0.00000000
:BAN00026:  26    1.093930    1.139699  0.00000000
:BAN00027:  27    1.115160    1.151170  0.00000000
        Energy to separate low and high energystates:    0.42010


:NLDA  : NUMBER OF ELECTRONS          =  19.000

:FLDA  : F E R M I - ENERGY           =   1.52381




: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




:POS002: AT.NR.   2 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1

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


:NOE  : NUMBER OF ELECTRONS          =  19.000

:FER  : F E R M I - ENERGY           =   0.89422

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.577995
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.2386 6.0333 1.3431 2.8783 0.0000 0.0000 0.0000 0.6834 0.7060 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:  2.0373 -2.1143    5.6088 -0.4542    0.1461 -0.1116    0.0624 -0.0794
        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:  0.2014  0.5904    0.4246  0.7014    1.1970  0.7008    2.8159  0.9519

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     3.930819
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.3367 2.5718 0.0199 0.0021 0.0000 0.0000 0.0000 0.0095 0.0140 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:  1.3055 -0.1066    0.0815 -0.2647    0.0058 -0.3622    0.0009 -0.4747
        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:  0.0311  0.6935    2.4903  0.6715    0.0141  0.8707    0.0013  0.8739

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      19.000000

:SUM  : SUM OF EIGENVALUES =          -0.552952378