:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
 
 
 
 
:POS001: AT.NR.  -1 POSITION = 0.75000 0.25000 0.50000  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 =    13.246002
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL001: 0.3815 6.4334 6.3941 0.0293 2.1265 4.3069 0.0000 1.3918 1.3328 1.1995 2.4699 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:  0.0817 -0.4525    6.0583 -3.4272    0.0592 -0.4501    0.0057 -0.6788
        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:  0.2998  0.0872    0.3751  0.2017    6.3348  0.3012    0.0233  0.2254
:VZZ001: EFG INSIDE SPHERE   1 =     0.628022      UP TO R =   2.41000
 
 
 
 
:POS002: AT.NR.  -2 POSITION = 0.25000 0.25000 0.26350  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 =    12.812943
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL002: 1.2019 1.575510.0215 0.0115 0.5464 1.0290 0.0000 2.0059 2.0064 2.0044 4.0049 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:  1.1364 -0.4111    0.0068 -0.6032    9.9622 -2.1989    0.0003 -2.5104
        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:  0.0655  0.1474    1.5685  0.1644    0.0593  0.2809    0.0113  0.3204
:VZZ002: EFG INSIDE SPHERE   2 =    -4.967916      UP TO R =   2.14000
 
 
 
 
:POS003: AT.NR.  -3 POSITION = 0.25000 0.25000 0.84590  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
 
:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =     2.607679
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL003: 2.1893 0.3312 0.0692 0.0143 0.1372 0.1939 0.0000 0.0197 0.0205 0.0071 0.0221 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
:EPL003:  2.0193 -2.9702    0.0296 -0.4256    0.0085 -0.4415    0.0020 -0.5269
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi
:EPH003:  0.1700  0.1394    0.3016  0.1890    0.0607  0.2139    0.0123  0.2235
:VZZ003: EFG INSIDE SPHERE   3 =    -0.130135      UP TO R =   2.50000
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      64.000001
 
:SUM  : SUM OF EIGENVALUES =         -93.378808977