:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5




:POS001: AT.NR.  -1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  2

       LMMAX 16
       LM=   0 0  2 0  2 2 -2 2  4 0  4 2 -4 2  4 4 -4 4  6 0  6 2 -6 2  6 4 -6 4  6 6 -6 6

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     0.002410
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ 
:QTL001: 0.0004 0.0011 0.0009 0.0000 0.0004 0.0004 0.0004 0.0000 0.0002 0.0002 0.0002 0.0002
        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:  0.0004 -5.5226    0.0010 -3.1887    0.0000 10.0000    0.0000 10.0000
        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:  0.0000 10.0000    0.0001  0.3984    0.0009  0.4918    0.0000 10.0000

                      QXX         QXY         QYY         QZZ       UP TO R

:VZZ001:            -0.00260    -0.00220    -0.00129     0.00388       2.500




:POS002: AT.NR.  -2 POSITION = 0.18820 0.35520 0.00000  MULTIPLICITY =  4

       LMMAX 28
       LM=   0 0  1 1 -1 1  2 0  2 2 -2 2  3 1 -3 1  3 3 -3 3  4 0  4 2 -4 2  4 4 -4 4  5 1 -5 1
         5 3 -5 3  5 5 -5 5  6 0  6 2 -6 2  6 4 -6 4  6 6 -6 6

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     0.003055
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ 
:QTL002: 0.0002 0.0012 0.0017 0.0000 0.0004 0.0004 0.0004 0.0003 0.0003 0.0003 0.0003 0.0003
        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:  0.0002 -0.0097    0.0010 -6.4814    0.0017 -1.5033    0.0000 10.0000
        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:  0.0000 10.0000    0.0002  0.3809    0.0000 10.0000    0.0000 10.0000

                      QXX         QXY         QYY         QZZ       UP TO R

:VZZ002:             0.00512    -0.00340     0.00446    -0.00958       2.270

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =       0.019117

:SUM  : SUM OF EIGENVALUES =          -0.045098966