:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
 
 
 
 
: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 =    13.373258
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL001: 0.4080 6.4551 6.4686 0.0320 2.1419 4.3133 0.0000 1.4141 1.3239 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 -0.4518    6.0533 -3.3987    0.0490 -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:  0.3403  0.1257    0.4019  0.2435    6.4197  0.3410    0.0260  0.2616
:VZZ001: EFG INSIDE SPHERE   1 =     0.293321      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 =    12.982786
: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 1.9945 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:  1.1855 -0.4081    0.0091 -0.4763    9.9234 -2.2875    0.0002 -2.1174
        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    1.6995  0.1976    0.0534  0.2916    0.0171  0.3485
:VZZ002: EFG INSIDE SPHERE   2 =   -10.061976      UP TO R =   2.29000
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      59.999999
 
:SUM  : SUM OF EIGENVALUES =         -81.875614193