: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 =    13.143186
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL001: 0.3547 6.3955 6.3500 0.0333 2.1117 4.2836 0.0000 1.4304 1.3177 1.2041 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 -0.6347    0.0063 -0.7665
        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    0.0271  0.1648
:VZZ001: EFG INSIDE SPHERE   1 =     0.197759      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 =    13.594711
: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 0.0121 0.7300 1.3978 0.0000 2.0093 2.0090 2.0092 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:  1.3279 -0.6041    0.0097 -0.7471    9.9823 -3.1581    0.0003 -2.7726
        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    0.0632  0.2399    0.0119  0.3045
:VZZ002: EFG INSIDE SPHERE   2 =    -5.698554      UP TO R =   2.11000
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      59.999999
 
:SUM  : SUM OF EIGENVALUES =        -102.405965821