STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge of spin 1:	18.2
 Total charge of spin 2:	13.8
 Total charge:	32
Decomposed Mulliken populations
0                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3706              0.3712              0.7418             -0.0006
s                                      1              0.9151              0.9159              1.8310             -0.0009
s                                      2              0.0367              0.0716              0.1083             -0.0349
s                                      3             -0.0007             -0.0003             -0.0010             -0.0005
SUM OVER M+Zeta                                       1.3217              1.3585              2.6802             -0.0368

pz                                     0              0.9950              0.9948              1.9898              0.0001
px                                     0              0.9950              0.9948              1.9898              0.0001
py                                     0              0.9950              0.9948              1.9898              0.0001
SUM OVER M                                            2.9849              2.9845              5.9693              0.0004
pz                                     1              0.0836              0.0971              0.1807             -0.0135
px                                     1              0.0836              0.0971              0.1807             -0.0135
py                                     1              0.0836              0.0971              0.1807             -0.0135
SUM OVER M                                            0.2508              0.2913              0.5421             -0.0405
SUM OVER M+Zeta                                       3.2357              3.2757              6.5114             -0.0401

dz^2                                   0              0.9729              0.3217              1.2946              0.6512
dxz                                    0              0.8718              0.5302              1.4020              0.3416
dyz                                    0              0.8718              0.5302              1.4020              0.3416
dx^2-y^2                               0              0.9729              0.3217              1.2946              0.6512
dxy                                    0              0.8718              0.5302              1.4020              0.3416
SUM OVER M                                            4.5611              2.2341              6.7952              2.3271
dz^2                                   1             -0.0058              0.0111              0.0054             -0.0169
dxz                                    1             -0.0058             -0.0009             -0.0067             -0.0049
dyz                                    1             -0.0058             -0.0009             -0.0067             -0.0049
dx^2-y^2                               1             -0.0058              0.0111              0.0054             -0.0169
dxy                                    1             -0.0058             -0.0009             -0.0067             -0.0049
SUM OVER M                                           -0.0289              0.0196             -0.0093             -0.0485
SUM OVER M+Zeta                                       4.5322              2.2537              6.7859              2.2785

fz^3                                   0              0.0014              0.0009              0.0023              0.0005
fxz^2                                  0              0.0019              0.0019              0.0038              0.0000
fyz^2                                  0              0.0019              0.0019              0.0038              0.0000
fzx^2-zy^2                             0              0.0022              0.0024              0.0046             -0.0003
fxyz                                   0              0.0013              0.0006              0.0018              0.0007
fx^3-3*xy^2                            0              0.0017              0.0015              0.0032              0.0002
f3yx^2-y^3                             0              0.0017              0.0015              0.0032              0.0002
SUM OVER M                                            0.0120              0.0106              0.0226              0.0014
SUM OVER M+Zeta                                       0.0120              0.0106              0.0226              0.0014

SUM OVER M+Zeta+L                                     9.1016              6.8984             16.0000              2.2031

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              2.2031


1                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3706              0.3712              0.7418             -0.0006
s                                      1              0.9151              0.9159              1.8310             -0.0009
s                                      2              0.0367              0.0716              0.1083             -0.0349
s                                      3             -0.0007             -0.0003             -0.0010             -0.0005
SUM OVER M+Zeta                                       1.3217              1.3585              2.6802             -0.0368

pz                                     0              0.9950              0.9948              1.9898              0.0001
px                                     0              0.9950              0.9948              1.9898              0.0001
py                                     0              0.9950              0.9948              1.9898              0.0001
SUM OVER M                                            2.9849              2.9845              5.9693              0.0004
pz                                     1              0.0836              0.0971              0.1807             -0.0135
px                                     1              0.0836              0.0971              0.1807             -0.0135
py                                     1              0.0836              0.0971              0.1807             -0.0135
SUM OVER M                                            0.2508              0.2913              0.5421             -0.0405
SUM OVER M+Zeta                                       3.2357              3.2757              6.5114             -0.0401

dz^2                                   0              0.9729              0.3217              1.2946              0.6512
dxz                                    0              0.8718              0.5302              1.4020              0.3416
dyz                                    0              0.8718              0.5302              1.4020              0.3416
dx^2-y^2                               0              0.9729              0.3217              1.2946              0.6512
dxy                                    0              0.8718              0.5302              1.4020              0.3416
SUM OVER M                                            4.5611              2.2341              6.7952              2.3271
dz^2                                   1             -0.0058              0.0111              0.0054             -0.0169
dxz                                    1             -0.0058             -0.0009             -0.0067             -0.0049
dyz                                    1             -0.0058             -0.0009             -0.0067             -0.0049
dx^2-y^2                               1             -0.0058              0.0111              0.0054             -0.0169
dxy                                    1             -0.0058             -0.0009             -0.0067             -0.0049
SUM OVER M                                           -0.0289              0.0196             -0.0093             -0.0485
SUM OVER M+Zeta                                       4.5322              2.2537              6.7859              2.2785

fz^3                                   0              0.0014              0.0009              0.0023              0.0005
fxz^2                                  0              0.0019              0.0019              0.0038              0.0000
fyz^2                                  0              0.0019              0.0019              0.0038              0.0000
fzx^2-zy^2                             0              0.0022              0.0024              0.0046             -0.0003
fxyz                                   0              0.0013              0.0006              0.0018              0.0007
fx^3-3*xy^2                            0              0.0017              0.0015              0.0032              0.0002
f3yx^2-y^3                             0              0.0017              0.0015              0.0032              0.0002
SUM OVER M                                            0.0120              0.0106              0.0226              0.0014
SUM OVER M+Zeta                                       0.0120              0.0106              0.0226              0.0014

SUM OVER M+Zeta+L                                     9.1016              6.8984             16.0000              2.2031

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              2.2031


