: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 =    15.274904
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ
:QTL001: 2.3731 6.4832 6.3806 0.0304 2.1760 2.1729 2.1343 0.9735 1.3355 1.2703 1.3045 1.4970
        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:  2.1059 -5.4459    6.0813 -3.1846    0.1004 -0.1499    0.0074 -0.4277
        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:  0.2674  0.3237    0.4017  0.4427    6.2800  0.5178    0.0230  0.4522
 
                      QXX         QXY         QYY         QZZ       UP TO R
 
:VZZ001:            -1.39324    -2.36084    -7.75301     9.14628       2.350
 
 
 
 
:POS002: AT.NR.  -2 POSITION = 0.17630 0.36240 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 =    12.615276
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ
:QTL002: 1.1945 1.375110.0323 0.0114 0.4774 0.4917 0.4060 2.0084 2.0047 2.0128 2.0023 2.0041
        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:  1.0843 -0.1772    0.0491 -0.1961    9.9605 -1.9783    0.0009 -0.6345
        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:  0.1100  0.3799    1.3259  0.4073    0.0716  0.4854    0.0103  0.5055
 
                      QXX         QXY         QYY         QZZ       UP TO R
 
:VZZ002:            -4.37316    -9.87442    -8.71197    13.08513       2.090
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      92.000003
 
:SUM  : SUM OF EIGENVALUES =        -129.552112815