: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 =    12.960225
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL001: 0.3285 6.3425 6.2603 0.0232 2.0831 4.2594 0.0000 1.3048 1.3224 1.0549 2.5782 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:  0.0901 -0.1769    6.0542 -3.1933    0.0775 -0.1259    0.0050 -0.1607
        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:  0.2384  0.3225    0.2881  0.4099    6.1829  0.5263    0.0181  0.4214
:VZZ001: EFG INSIDE SPHERE   1 =    -0.640636      UP TO R =   2.28000
 
 
 
 
:POS002: AT.NR.  -2 POSITION = 0.25000 0.25000 0.63390  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 =     2.866590
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL002: 1.1132 1.6343 0.1055 0.0113 0.5518 1.0824 0.0000 0.0186 0.0253 0.0257 0.0359 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:  1.0513 -0.1390    0.0136 -0.3905    0.0013 -1.4789    0.0004 -2.0353
        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:  0.0620  0.3912    1.6207  0.3877    0.1041  0.5256    0.0108  0.5476
:VZZ002: EFG INSIDE SPHERE   2 =    -0.989694      UP TO R =   2.02000
 
 
 
 
:POS003: AT.NR.  -3 POSITION = 0.75000 0.25000 0.00000  MULTIPLICITY =  2
 
       LMMAX  8
       LM=   0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4
 
:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =     6.419170
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL003: 1.8606 4.4933 0.0471 0.0133 1.4807 3.0128 0.0000 0.0044 0.0136 0.0060 0.0231 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:  1.8552 -0.6823    0.1824 -0.5626    0.0310 -0.6389    0.0093 -0.6721
        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:  0.0055  0.3872    4.3109  0.3757    0.0160  0.3912    0.0039  0.3868
:VZZ003: EFG INSIDE SPHERE   3 =     1.260718      UP TO R =   2.08000
 
 
 
 
:POS004: AT.NR.  -4 POSITION = 0.25000 0.25000 0.14870  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
 
:CHA004: TOTAL CHARGE INSIDE SPHERE   4 =     7.441811
:PCS004: PARTIAL CHARGES SPHERE =  4 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL004: 1.8916 5.0056 0.3762 0.1615 1.6692 3.3365 0.0000 0.0453 0.0472 0.0935 0.1902 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
:EPL004:  1.8438 -1.6821    4.7208 -0.4991    0.0206 -0.5401    0.0063 -0.5679
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi
:EPH004:  0.0477  0.3423    0.2849  0.3874    0.3556  0.3708    0.1553  0.4287
:VZZ004: EFG INSIDE SPHERE   4 =    -0.063809      UP TO R =   2.34000
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000001
 
:SUM  : SUM OF EIGENVALUES =         -39.157962317