STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge of spin 1:	18
 Total charge of spin 2:	14
 Total charge:	32
Decomposed Mulliken populations
0                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3711              0.3705              0.7415              0.0006
s                                      1              0.9152              0.9159              1.8311             -0.0006
s                                      2              0.0379              0.0691              0.1070             -0.0312
s                                      3             -0.0007             -0.0003             -0.0010             -0.0005
SUM OVER M+Zeta                                       1.3234              1.3552              2.6786             -0.0317

pz                                     0              0.9949              0.9948              1.9897              0.0001
px                                     0              0.9949              0.9948              1.9897              0.0001
py                                     0              0.9949              0.9948              1.9897              0.0001
SUM OVER M                                            2.9847              2.9844              5.9691              0.0003
pz                                     1              0.0840              0.0964              0.1803             -0.0124
px                                     1              0.0840              0.0964              0.1803             -0.0124
py                                     1              0.0840              0.0964              0.1803             -0.0124
SUM OVER M                                            0.2519              0.2891              0.5410             -0.0373
SUM OVER M+Zeta                                       3.2365              3.2735              6.5100             -0.0370

dz^2                                   0              0.9728              0.3269              1.2996              0.6459
dxz                                    0              0.8366              0.5635              1.4001              0.2732
dyz                                    0              0.8366              0.5635              1.4001              0.2732
dx^2-y^2                               0              0.9728              0.3269              1.2996              0.6459
dxy                                    0              0.8366              0.5635              1.4001              0.2732
SUM OVER M                                            4.4555              2.3441              6.7996              2.1114
dz^2                                   1             -0.0057              0.0103              0.0045             -0.0160
dxz                                    1             -0.0053             -0.0014             -0.0067             -0.0040
dyz                                    1             -0.0053             -0.0014             -0.0067             -0.0040
dx^2-y^2                               1             -0.0057              0.0103              0.0045             -0.0160
dxy                                    1             -0.0053             -0.0014             -0.0067             -0.0040
SUM OVER M                                           -0.0274              0.0164             -0.0110             -0.0439
SUM OVER M+Zeta                                       4.4280              2.3606              6.7886              2.0675

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             -0.0002
fxyz                                   0              0.0012              0.0008              0.0020              0.0004
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              0.0108              0.0227              0.0012
SUM OVER M+Zeta                                       0.0120              0.0108              0.0227              0.0012

SUM OVER M+Zeta+L                                     9.0000              7.0000             16.0000              2.0000

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              2.0000


1                             Zeta of Fe              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.3711              0.3705              0.7415              0.0006
s                                      1              0.9152              0.9159              1.8311             -0.0006
s                                      2              0.0379              0.0691              0.1070             -0.0312
s                                      3             -0.0007             -0.0003             -0.0010             -0.0005
SUM OVER M+Zeta                                       1.3234              1.3552              2.6786             -0.0317

pz                                     0              0.9949              0.9948              1.9897              0.0001
px                                     0              0.9949              0.9948              1.9897              0.0001
py                                     0              0.9949              0.9948              1.9897              0.0001
SUM OVER M                                            2.9847              2.9844              5.9691              0.0003
pz                                     1              0.0840              0.0964              0.1803             -0.0124
px                                     1              0.0840              0.0964              0.1803             -0.0124
py                                     1              0.0840              0.0964              0.1803             -0.0124
SUM OVER M                                            0.2519              0.2891              0.5410             -0.0373
SUM OVER M+Zeta                                       3.2365              3.2735              6.5100             -0.0370

dz^2                                   0              0.9728              0.3269              1.2996              0.6459
dxz                                    0              0.8366              0.5635              1.4001              0.2732
dyz                                    0              0.8366              0.5635              1.4001              0.2732
dx^2-y^2                               0              0.9728              0.3269              1.2996              0.6459
dxy                                    0              0.8366              0.5635              1.4001              0.2732
SUM OVER M                                            4.4555              2.3441              6.7996              2.1114
dz^2                                   1             -0.0057              0.0103              0.0045             -0.0160
dxz                                    1             -0.0053             -0.0014             -0.0067             -0.0040
dyz                                    1             -0.0053             -0.0014             -0.0067             -0.0040
dx^2-y^2                               1             -0.0057              0.0103              0.0045             -0.0160
dxy                                    1             -0.0053             -0.0014             -0.0067             -0.0040
SUM OVER M                                           -0.0274              0.0164             -0.0110             -0.0439
SUM OVER M+Zeta                                       4.4280              2.3606              6.7886              2.0675

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             -0.0002
fxyz                                   0              0.0012              0.0008              0.0020              0.0004
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              0.0108              0.0227              0.0012
SUM OVER M+Zeta                                       0.0120              0.0108              0.0227              0.0012

SUM OVER M+Zeta+L                                     9.0000              7.0000             16.0000              2.0000

Total Charge on atom:                 Fe             16.0000
Total Magnetism on atom:              Fe              2.0000


