STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge of spin 1:	17
 Total charge of spin 2:	15
 Total charge:	32
Decomposed Mulliken populations
0                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3685              0.3683              0.7368              0.0001
s                                      1              0.9151              0.9157              1.8308             -0.0007
s                                      2              0.0430              0.0585              0.1015             -0.0155
s                                      3             -0.0007             -0.0002             -0.0009             -0.0005
SUM OVER M+Zeta                                       1.3258              1.3423              2.6682             -0.0165

pz                                     0              0.9947              0.9947              1.9893             -0.0000
px                                     0              0.9947              0.9947              1.9893             -0.0000
py                                     0              0.9947              0.9947              1.9893             -0.0000
SUM OVER M                                            2.9840              2.9840              5.9679             -0.0000
pz                                     1              0.0851              0.0936              0.1786             -0.0085
px                                     1              0.0851              0.0936              0.1786             -0.0085
py                                     1              0.0851              0.0936              0.1786             -0.0085
SUM OVER M                                            0.2552              0.2807              0.5359             -0.0255
SUM OVER M+Zeta                                       3.2391              3.2647              6.5038             -0.0255

dz^2                                   0              0.8901              0.4315              1.3216              0.4585
dxz                                    0              0.7216              0.6718              1.3934              0.0498
dyz                                    0              0.7216              0.6718              1.3934              0.0498
dx^2-y^2                               0              0.8901              0.4315              1.3216              0.4585
dxy                                    0              0.7216              0.6718              1.3934              0.0498
SUM OVER M                                            3.9449              2.8786              6.8234              1.0663
dz^2                                   1             -0.0050              0.0048             -0.0002             -0.0098
dxz                                    1             -0.0040             -0.0028             -0.0068             -0.0012
dyz                                    1             -0.0040             -0.0028             -0.0068             -0.0012
dx^2-y^2                               1             -0.0050              0.0048             -0.0002             -0.0098
dxy                                    1             -0.0040             -0.0028             -0.0068             -0.0012
SUM OVER M                                           -0.0218              0.0013             -0.0206             -0.0231
SUM OVER M+Zeta                                       3.9230              2.8798              6.8028              1.0432

fz^3                                   0              0.0014              0.0014              0.0028              0.0000
fxz^2                                  0              0.0020              0.0022              0.0042             -0.0002
fyz^2                                  0              0.0020              0.0022              0.0042             -0.0002
fzx^2-zy^2                             0              0.0023              0.0027              0.0050             -0.0004
fxyz                                   0              0.0008              0.0008              0.0017             -0.0000
fx^3-3*xy^2                            0              0.0018              0.0019              0.0036             -0.0001
f3yx^2-y^3                             0              0.0018              0.0019              0.0036             -0.0001
SUM OVER M                                            0.0120              0.0132              0.0252             -0.0011
SUM OVER M+Zeta                                       0.0120              0.0132              0.0252             -0.0011

SUM OVER M+Zeta+L                                     8.5000              7.5000             16.0000              1.0000

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              1.0000


1                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3685              0.3683              0.7368              0.0001
s                                      1              0.9151              0.9157              1.8308             -0.0007
s                                      2              0.0430              0.0585              0.1015             -0.0155
s                                      3             -0.0007             -0.0002             -0.0009             -0.0005
SUM OVER M+Zeta                                       1.3258              1.3423              2.6682             -0.0165

pz                                     0              0.9947              0.9947              1.9893             -0.0000
px                                     0              0.9947              0.9947              1.9893             -0.0000
py                                     0              0.9947              0.9947              1.9893             -0.0000
SUM OVER M                                            2.9840              2.9840              5.9679             -0.0000
pz                                     1              0.0851              0.0936              0.1786             -0.0085
px                                     1              0.0851              0.0936              0.1786             -0.0085
py                                     1              0.0851              0.0936              0.1786             -0.0085
SUM OVER M                                            0.2552              0.2807              0.5359             -0.0255
SUM OVER M+Zeta                                       3.2391              3.2647              6.5038             -0.0255

dz^2                                   0              0.8901              0.4315              1.3216              0.4585
dxz                                    0              0.7216              0.6718              1.3934              0.0498
dyz                                    0              0.7216              0.6718              1.3934              0.0498
dx^2-y^2                               0              0.8901              0.4315              1.3216              0.4585
dxy                                    0              0.7216              0.6718              1.3934              0.0498
SUM OVER M                                            3.9449              2.8786              6.8234              1.0663
dz^2                                   1             -0.0050              0.0048             -0.0002             -0.0098
dxz                                    1             -0.0040             -0.0028             -0.0068             -0.0012
dyz                                    1             -0.0040             -0.0028             -0.0068             -0.0012
dx^2-y^2                               1             -0.0050              0.0048             -0.0002             -0.0098
dxy                                    1             -0.0040             -0.0028             -0.0068             -0.0012
SUM OVER M                                           -0.0218              0.0013             -0.0206             -0.0231
SUM OVER M+Zeta                                       3.9230              2.8798              6.8028              1.0432

fz^3                                   0              0.0014              0.0014              0.0028              0.0000
fxz^2                                  0              0.0020              0.0022              0.0042             -0.0002
fyz^2                                  0              0.0020              0.0022              0.0042             -0.0002
fzx^2-zy^2                             0              0.0023              0.0027              0.0050             -0.0004
fxyz                                   0              0.0008              0.0008              0.0017             -0.0000
fx^3-3*xy^2                            0              0.0018              0.0019              0.0036             -0.0001
f3yx^2-y^3                             0              0.0018              0.0019              0.0036             -0.0001
SUM OVER M                                            0.0120              0.0132              0.0252             -0.0011
SUM OVER M+Zeta                                       0.0120              0.0132              0.0252             -0.0011

SUM OVER M+Zeta+L                                     8.5000              7.5000             16.0000              1.0000

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              1.0000


