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              0.1999              0.2190              0.4189             -0.0191
s                                      1              0.9532              0.9546              1.9078             -0.0014
s                                      2              0.0168              0.0182              0.0350             -0.0013
s                                      3             -0.0011             -0.0015             -0.0026              0.0004
SUM OVER M+Zeta                                       1.1688              1.1902              2.3590             -0.0214

pz                                     0              0.9973              0.9965              1.9938              0.0008
px                                     0              0.9973              0.9965              1.9938              0.0008
py                                     0              0.9973              0.9965              1.9938              0.0008
SUM OVER M                                            2.9919              2.9896              5.9815              0.0023
pz                                     1              0.0672              0.0682              0.1355             -0.0010
px                                     1              0.0672              0.0682              0.1355             -0.0010
py                                     1              0.0672              0.0682              0.1355             -0.0010
SUM OVER M                                            0.2016              0.2047              0.4064             -0.0031
SUM OVER M+Zeta                                       3.1935              3.1944              6.3879             -0.0008

dz^2                                   0              0.9698              0.3424              1.3123              0.6274
dxz                                    0              0.9997              0.9976              1.9974              0.0021
dyz                                    0              0.9997              0.9976              1.9974              0.0021
dx^2-y^2                               0              0.9698              0.3424              1.3123              0.6274
dxy                                    0              0.9997              0.9976              1.9974              0.0021
SUM OVER M                                            4.9388              3.6778              8.6166              1.2610
dz^2                                   1             -0.0203             -0.0099             -0.0302             -0.0104
dxz                                    1             -0.0013             -0.0018             -0.0031              0.0005
dyz                                    1             -0.0013             -0.0018             -0.0031              0.0005
dx^2-y^2                               1             -0.0203             -0.0099             -0.0302             -0.0104
dxy                                    1             -0.0013             -0.0018             -0.0031              0.0005
SUM OVER M                                           -0.0444             -0.0252             -0.0697             -0.0192
SUM OVER M+Zeta                                       4.8944              3.6526              8.5469              1.2418

fz^3                                   0              0.0057              0.0056              0.0113              0.0001
fxz^2                                  0              0.0040              0.0040              0.0081              0.0000
fyz^2                                  0              0.0040              0.0040              0.0081              0.0000
fzx^2-zy^2                             0              0.0030              0.0031              0.0061             -0.0000
fxyz                                   0              0.0007              0.0008              0.0015             -0.0000
fx^3-3*xy^2                            0              0.0047              0.0046              0.0094              0.0001
f3yx^2-y^3                             0              0.0047              0.0046              0.0094              0.0001
SUM OVER M                                            0.0270              0.0268              0.0538              0.0002
SUM OVER M+Zeta                                       0.0270              0.0268              0.0538              0.0002

SUM OVER M+Zeta+L                                     9.2837              8.0639             17.3477              1.2198

Total Charge on atom:                Ni1             17.3477
Total Magnetism on atom:             Ni1              1.2198


1                            Zeta of Ni2              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.2190              0.1999              0.4189              0.0191
s                                      1              0.9546              0.9532              1.9078              0.0014
s                                      2              0.0182              0.0168              0.0350              0.0013
s                                      3             -0.0015             -0.0011             -0.0026             -0.0004
SUM OVER M+Zeta                                       1.1902              1.1688              2.3590              0.0214

pz                                     0              0.9965              0.9973              1.9938             -0.0008
px                                     0              0.9965              0.9973              1.9938             -0.0008
py                                     0              0.9965              0.9973              1.9938             -0.0008
SUM OVER M                                            2.9896              2.9919              5.9815             -0.0023
pz                                     1              0.0682              0.0672              0.1355              0.0010
px                                     1              0.0682              0.0672              0.1355              0.0010
py                                     1              0.0682              0.0672              0.1355              0.0010
SUM OVER M                                            0.2047              0.2016              0.4064              0.0031
SUM OVER M+Zeta                                       3.1944              3.1935              6.3879              0.0008

dz^2                                   0              0.3424              0.9698              1.3123             -0.6274
dxz                                    0              0.9976              0.9997              1.9974             -0.0021
dyz                                    0              0.9976              0.9997              1.9974             -0.0021
dx^2-y^2                               0              0.3424              0.9698              1.3123             -0.6274
dxy                                    0              0.9976              0.9997              1.9974             -0.0021
SUM OVER M                                            3.6778              4.9388              8.6166             -1.2610
dz^2                                   1             -0.0099             -0.0203             -0.0302              0.0104
dxz                                    1             -0.0018             -0.0013             -0.0031             -0.0005
dyz                                    1             -0.0018             -0.0013             -0.0031             -0.0005
dx^2-y^2                               1             -0.0099             -0.0203             -0.0302              0.0104
dxy                                    1             -0.0018             -0.0013             -0.0031             -0.0005
SUM OVER M                                           -0.0252             -0.0444             -0.0697              0.0192
SUM OVER M+Zeta                                       3.6526              4.8944              8.5469             -1.2418

fz^3                                   0              0.0056              0.0057              0.0113             -0.0001
fxz^2                                  0              0.0040              0.0040              0.0081             -0.0000
fyz^2                                  0              0.0040              0.0040              0.0081             -0.0000
fzx^2-zy^2                             0              0.0031              0.0030              0.0061              0.0000
fxyz                                   0              0.0008              0.0007              0.0015              0.0000
fx^3-3*xy^2                            0              0.0046              0.0047              0.0094             -0.0001
f3yx^2-y^3                             0              0.0046              0.0047              0.0094             -0.0001
SUM OVER M                                            0.0268              0.0270              0.0538             -0.0002
SUM OVER M+Zeta                                       0.0268              0.0270              0.0538             -0.0002

SUM OVER M+Zeta+L                                     8.0639              9.2837             17.3477             -1.2198

Total Charge on atom:                Ni2             17.3477
Total Magnetism on atom:             Ni2             -1.2198


2                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9559              0.9559              1.9118             -0.0000
s                                      1             -0.0258             -0.0258             -0.0516              0.0000
SUM OVER M+Zeta                                       0.9301              0.9301              1.8603             -0.0000

pz                                     0              0.8024              0.8024              1.6049              0.0000
px                                     0              0.8024              0.8024              1.6049              0.0000
py                                     0              0.8024              0.8024              1.6049              0.0000
SUM OVER M                                            2.4073              2.4073              4.8147              0.0000
pz                                     1             -0.0065             -0.0065             -0.0130             -0.0000
px                                     1             -0.0065             -0.0065             -0.0130             -0.0000
py                                     1             -0.0065             -0.0065             -0.0130             -0.0000
SUM OVER M                                           -0.0196             -0.0196             -0.0391             -0.0000
SUM OVER M+Zeta                                       2.3878              2.3878              4.7755              0.0000

dz^2                                   0              0.0014              0.0014              0.0027             -0.0000
dxz                                    0              0.0018              0.0018              0.0037             -0.0000
dyz                                    0              0.0018              0.0018              0.0037             -0.0000
dx^2-y^2                               0              0.0014              0.0014              0.0027             -0.0000
dxy                                    0              0.0018              0.0018              0.0037             -0.0000
SUM OVER M                                            0.0083              0.0083              0.0166             -0.0000
SUM OVER M+Zeta                                       0.0083              0.0083              0.0166             -0.0000

SUM OVER M+Zeta+L                                     3.3262              3.3262              6.6523              0.0000

Total Charge on atom:                  O              6.6523
Total Magnetism on atom:               O              0.0000


3                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9559              0.9559              1.9118             -0.0000
s                                      1             -0.0258             -0.0258             -0.0516              0.0000
SUM OVER M+Zeta                                       0.9301              0.9301              1.8603             -0.0000

pz                                     0              0.8024              0.8024              1.6049              0.0000
px                                     0              0.8024              0.8024              1.6049              0.0000
py                                     0              0.8024              0.8024              1.6049              0.0000
SUM OVER M                                            2.4073              2.4073              4.8147              0.0000
pz                                     1             -0.0065             -0.0065             -0.0130             -0.0000
px                                     1             -0.0065             -0.0065             -0.0130             -0.0000
py                                     1             -0.0065             -0.0065             -0.0130             -0.0000
SUM OVER M                                           -0.0196             -0.0196             -0.0391             -0.0000
SUM OVER M+Zeta                                       2.3878              2.3878              4.7755              0.0000

dz^2                                   0              0.0014              0.0014              0.0027             -0.0000
dxz                                    0              0.0018              0.0018              0.0037             -0.0000
dyz                                    0              0.0018              0.0018              0.0037             -0.0000
dx^2-y^2                               0              0.0014              0.0014              0.0027             -0.0000
dxy                                    0              0.0018              0.0018              0.0037             -0.0000
SUM OVER M                                            0.0083              0.0083              0.0166             -0.0000
SUM OVER M+Zeta                                       0.0083              0.0083              0.0166             -0.0000

SUM OVER M+Zeta+L                                     3.3262              3.3262              6.6523              0.0000

Total Charge on atom:                  O              6.6523
Total Magnetism on atom:               O              0.0000


