STEP: 0
CALCULATE THE MULLIkEN ANALYSIS FOR EACH ATOM
 Total charge of spin 1:	24
 Total charge of spin 2:	24
 Total charge:	48
Decomposed Mulliken populations
0                            Zeta of Ni1              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.2086              0.2269              0.4355             -0.0183
s                                      1              0.9547              0.9557              1.9103             -0.0010
s                                      2              0.0168              0.0183              0.0351             -0.0016
s                                      3             -0.0011             -0.0020             -0.0031              0.0009
SUM OVER M+Zeta                                       1.1789              1.1989              2.3778             -0.0200

pz                                     0              0.9970              0.9960              1.9930              0.0010
px                                     0              0.9970              0.9960              1.9930              0.0010
py                                     0              0.9970              0.9960              1.9930              0.0010
SUM OVER M                                            2.9910              2.9879              5.9789              0.0031
pz                                     1              0.0730              0.0724              0.1454              0.0006
px                                     1              0.0730              0.0724              0.1454              0.0006
py                                     1              0.0730              0.0724              0.1454              0.0006
SUM OVER M                                            0.2189              0.2171              0.4361              0.0018
SUM OVER M+Zeta                                       3.2099              3.2051              6.4150              0.0049

dz^2                                   0              1.0140              0.2038              1.2178              0.8102
dxz                                    0              1.0014              1.0030              2.0045             -0.0016
dyz                                    0              1.0014              1.0030              2.0045             -0.0016
dx^2-y^2                               0              1.0140              0.2038              1.2178              0.8102
dxy                                    0              1.0014              1.0030              2.0045             -0.0016
SUM OVER M                                            5.0323              3.4168              8.4490              1.6155
dz^2                                   1             -0.0230             -0.0098             -0.0327             -0.0132
dxz                                    1              0.0016              0.0006              0.0023              0.0010
dyz                                    1              0.0016              0.0006              0.0023              0.0010
dx^2-y^2                               1             -0.0230             -0.0098             -0.0327             -0.0132
dxy                                    1              0.0016              0.0006              0.0023              0.0010
SUM OVER M                                           -0.0410             -0.0176             -0.0586             -0.0234
SUM OVER M+Zeta                                       4.9913              3.3991              8.3904              1.5922

fz^3                                   0              0.0058              0.0056              0.0114              0.0003
fxz^2                                  0              0.0041              0.0040              0.0081              0.0001
fyz^2                                  0              0.0041              0.0040              0.0081              0.0001
fzx^2-zy^2                             0              0.0030              0.0030              0.0061             -0.0000
fxyz                                   0              0.0004              0.0004              0.0008             -0.0000
fx^3-3*xy^2                            0              0.0048              0.0046              0.0094              0.0002
f3yx^2-y^3                             0              0.0048              0.0046              0.0094              0.0002
SUM OVER M                                            0.0270              0.0263              0.0533              0.0007
SUM OVER M+Zeta                                       0.0270              0.0263              0.0533              0.0007

SUM OVER M+Zeta+L                                     9.4071              7.8294             17.2365              1.5778

Total Charge on atom:                Ni1             17.2365
Total Magnetism on atom:             Ni1              1.5778


1                            Zeta of Ni2              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.2269              0.2086              0.4355              0.0183
s                                      1              0.9557              0.9547              1.9103              0.0010
s                                      2              0.0183              0.0168              0.0351              0.0016
s                                      3             -0.0020             -0.0011             -0.0031             -0.0009
SUM OVER M+Zeta                                       1.1989              1.1789              2.3778              0.0200

pz                                     0              0.9960              0.9970              1.9930             -0.0010
px                                     0              0.9960              0.9970              1.9930             -0.0010
py                                     0              0.9960              0.9970              1.9930             -0.0010
SUM OVER M                                            2.9879              2.9910              5.9789             -0.0031
pz                                     1              0.0724              0.0730              0.1454             -0.0006
px                                     1              0.0724              0.0730              0.1454             -0.0006
py                                     1              0.0724              0.0730              0.1454             -0.0006
SUM OVER M                                            0.2171              0.2189              0.4361             -0.0018
SUM OVER M+Zeta                                       3.2051              3.2099              6.4150             -0.0049

dz^2                                   0              0.2038              1.0140              1.2178             -0.8102
dxz                                    0              1.0030              1.0014              2.0045              0.0016
dyz                                    0              1.0030              1.0014              2.0045              0.0016
dx^2-y^2                               0              0.2038              1.0140              1.2178             -0.8102
dxy                                    0              1.0030              1.0014              2.0045              0.0016
SUM OVER M                                            3.4168              5.0323              8.4490             -1.6155
dz^2                                   1             -0.0098             -0.0230             -0.0327              0.0132
dxz                                    1              0.0006              0.0016              0.0023             -0.0010
dyz                                    1              0.0006              0.0016              0.0023             -0.0010
dx^2-y^2                               1             -0.0098             -0.0230             -0.0327              0.0132
dxy                                    1              0.0006              0.0016              0.0023             -0.0010
SUM OVER M                                           -0.0176             -0.0410             -0.0586              0.0234
SUM OVER M+Zeta                                       3.3991              4.9913              8.3904             -1.5922

fz^3                                   0              0.0056              0.0058              0.0114             -0.0003
fxz^2                                  0              0.0040              0.0041              0.0081             -0.0001
fyz^2                                  0              0.0040              0.0041              0.0081             -0.0001
fzx^2-zy^2                             0              0.0030              0.0030              0.0061              0.0000
fxyz                                   0              0.0004              0.0004              0.0008              0.0000
fx^3-3*xy^2                            0              0.0046              0.0048              0.0094             -0.0002
f3yx^2-y^3                             0              0.0046              0.0048              0.0094             -0.0002
SUM OVER M                                            0.0263              0.0270              0.0533             -0.0007
SUM OVER M+Zeta                                       0.0263              0.0270              0.0533             -0.0007

SUM OVER M+Zeta+L                                     7.8294              9.4071             17.2365             -1.5778

Total Charge on atom:                Ni2             17.2365
Total Magnetism on atom:             Ni2             -1.5778


2                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9518              0.9518              1.9036             -0.0000
s                                      1             -0.0250             -0.0250             -0.0500              0.0000
SUM OVER M+Zeta                                       0.9268              0.9268              1.8537             -0.0000

pz                                     0              0.8254              0.8254              1.6508              0.0000
px                                     0              0.8254              0.8254              1.6508             -0.0000
py                                     0              0.8254              0.8254              1.6508              0.0000
SUM OVER M                                            2.4762              2.4762              4.9523              0.0000
pz                                     1             -0.0089             -0.0089             -0.0178              0.0000
px                                     1             -0.0089             -0.0089             -0.0178             -0.0000
py                                     1             -0.0089             -0.0089             -0.0178              0.0000
SUM OVER M                                           -0.0267             -0.0267             -0.0534              0.0000
SUM OVER M+Zeta                                       2.4495              2.4495              4.8990              0.0000

dz^2                                   0              0.0008              0.0008              0.0017              0.0000
dxz                                    0              0.0013              0.0013              0.0025             -0.0000
dyz                                    0              0.0013              0.0013              0.0025             -0.0000
dx^2-y^2                               0              0.0008              0.0008              0.0017              0.0000
dxy                                    0              0.0013              0.0013              0.0025             -0.0000
SUM OVER M                                            0.0055              0.0055              0.0109             -0.0000
SUM OVER M+Zeta                                       0.0055              0.0055              0.0109             -0.0000

SUM OVER M+Zeta+L                                     3.3818              3.3818              6.7635             -0.0000

Total Charge on atom:                  O              6.7635
Total Magnetism on atom:               O             -0.0000


3                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9518              0.9518              1.9036              0.0000
s                                      1             -0.0250             -0.0250             -0.0500             -0.0000
SUM OVER M+Zeta                                       0.9268              0.9268              1.8537              0.0000

pz                                     0              0.8254              0.8254              1.6508             -0.0000
px                                     0              0.8254              0.8254              1.6508              0.0000
py                                     0              0.8254              0.8254              1.6508             -0.0000
SUM OVER M                                            2.4762              2.4762              4.9523             -0.0000
pz                                     1             -0.0089             -0.0089             -0.0178              0.0000
px                                     1             -0.0089             -0.0089             -0.0178              0.0000
py                                     1             -0.0089             -0.0089             -0.0178              0.0000
SUM OVER M                                           -0.0267             -0.0267             -0.0534              0.0000
SUM OVER M+Zeta                                       2.4495              2.4495              4.8990             -0.0000

dz^2                                   0              0.0008              0.0008              0.0017              0.0000
dxz                                    0              0.0013              0.0013              0.0025             -0.0000
dyz                                    0              0.0013              0.0013              0.0025             -0.0000
dx^2-y^2                               0              0.0008              0.0008              0.0017              0.0000
dxy                                    0              0.0013              0.0013              0.0025             -0.0000
SUM OVER M                                            0.0055              0.0055              0.0109              0.0000
SUM OVER M+Zeta                                       0.0055              0.0055              0.0109              0.0000

SUM OVER M+Zeta+L                                     3.3818              3.3818              6.7635              0.0000

Total Charge on atom:                  O              6.7635
Total Magnetism on atom:               O              0.0000


