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              0.2027              0.2224              0.4251             -0.0196
s                                      1              0.9537              0.9550              1.9088             -0.0013
s                                      2              0.0167              0.0182              0.0350             -0.0015
s                                      3             -0.0011             -0.0018             -0.0029              0.0007
SUM OVER M+Zeta                                       1.1721              1.1939              2.3660             -0.0218

pz                                     0              0.9972              0.9963              1.9935              0.0009
px                                     0              0.9972              0.9963              1.9935              0.0009
py                                     0              0.9972              0.9963              1.9935              0.0009
SUM OVER M                                            2.9916              2.9889              5.9805              0.0027
pz                                     1              0.0693              0.0699              0.1392             -0.0005
px                                     1              0.0693              0.0699              0.1392             -0.0005
py                                     1              0.0693              0.0699              0.1392             -0.0005
SUM OVER M                                            0.2079              0.2096              0.4175             -0.0016
SUM OVER M+Zeta                                       3.1996              3.1985              6.3981              0.0011

dz^2                                   0              1.0001              0.2698              1.2698              0.7303
dxz                                    0              1.0014              1.0019              2.0032             -0.0005
dyz                                    0              1.0014              1.0019              2.0032             -0.0005
dx^2-y^2                               0              1.0001              0.2698              1.2698              0.7303
dxy                                    0              1.0014              1.0019              2.0032             -0.0005
SUM OVER M                                            5.0042              3.5451              8.5493              1.4591
dz^2                                   1             -0.0218             -0.0097             -0.0315             -0.0122
dxz                                    1             -0.0002             -0.0009             -0.0011              0.0008
dyz                                    1             -0.0002             -0.0009             -0.0011              0.0008
dx^2-y^2                               1             -0.0218             -0.0097             -0.0315             -0.0122
dxy                                    1             -0.0002             -0.0009             -0.0011              0.0008
SUM OVER M                                           -0.0442             -0.0221             -0.0662             -0.0221
SUM OVER M+Zeta                                       4.9600              3.5230              8.4831              1.4370

fz^3                                   0              0.0057              0.0056              0.0113              0.0002
fxz^2                                  0              0.0040              0.0040              0.0080              0.0000
fyz^2                                  0              0.0040              0.0040              0.0080              0.0000
fzx^2-zy^2                             0              0.0030              0.0031              0.0061             -0.0000
fxyz                                   0              0.0006              0.0006              0.0012             -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                                            0.0269              0.0265              0.0534              0.0004
SUM OVER M+Zeta                                       0.0269              0.0265              0.0534              0.0004

SUM OVER M+Zeta+L                                     9.3586              7.9419             17.3005              1.4166

Total Charge on atom:                Ni1             17.3005
Total Magnetism on atom:             Ni1              1.4166


1                            Zeta of Ni2              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.2224              0.2027              0.4251              0.0196
s                                      1              0.9550              0.9537              1.9088              0.0013
s                                      2              0.0182              0.0167              0.0350              0.0015
s                                      3             -0.0018             -0.0011             -0.0029             -0.0007
SUM OVER M+Zeta                                       1.1939              1.1721              2.3660              0.0218

pz                                     0              0.9963              0.9972              1.9935             -0.0009
px                                     0              0.9963              0.9972              1.9935             -0.0009
py                                     0              0.9963              0.9972              1.9935             -0.0009
SUM OVER M                                            2.9889              2.9916              5.9805             -0.0027
pz                                     1              0.0699              0.0693              0.1392              0.0005
px                                     1              0.0699              0.0693              0.1392              0.0005
py                                     1              0.0699              0.0693              0.1392              0.0005
SUM OVER M                                            0.2096              0.2079              0.4175              0.0016
SUM OVER M+Zeta                                       3.1985              3.1996              6.3981             -0.0011

dz^2                                   0              0.2698              1.0001              1.2698             -0.7303
dxz                                    0              1.0019              1.0014              2.0032              0.0005
dyz                                    0              1.0019              1.0014              2.0032              0.0005
dx^2-y^2                               0              0.2698              1.0001              1.2698             -0.7303
dxy                                    0              1.0019              1.0014              2.0032              0.0005
SUM OVER M                                            3.5451              5.0042              8.5493             -1.4591
dz^2                                   1             -0.0097             -0.0218             -0.0315              0.0122
dxz                                    1             -0.0009             -0.0002             -0.0011             -0.0008
dyz                                    1             -0.0009             -0.0002             -0.0011             -0.0008
dx^2-y^2                               1             -0.0097             -0.0218             -0.0315              0.0122
dxy                                    1             -0.0009             -0.0002             -0.0011             -0.0008
SUM OVER M                                           -0.0221             -0.0442             -0.0662              0.0221
SUM OVER M+Zeta                                       3.5230              4.9600              8.4831             -1.4370

fz^3                                   0              0.0056              0.0057              0.0113             -0.0002
fxz^2                                  0              0.0040              0.0040              0.0080             -0.0000
fyz^2                                  0              0.0040              0.0040              0.0080             -0.0000
fzx^2-zy^2                             0              0.0031              0.0030              0.0061              0.0000
fxyz                                   0              0.0006              0.0006              0.0012              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                                            0.0265              0.0269              0.0534             -0.0004
SUM OVER M+Zeta                                       0.0265              0.0269              0.0534             -0.0004

SUM OVER M+Zeta+L                                     7.9419              9.3586             17.3005             -1.4166

Total Charge on atom:                Ni2             17.3005
Total Magnetism on atom:             Ni2             -1.4166


2                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9536              0.9536              1.9072             -0.0000
s                                      1             -0.0250             -0.0250             -0.0501              0.0000
SUM OVER M+Zeta                                       0.9286              0.9286              1.8571             -0.0000

pz                                     0              0.8124              0.8124              1.6248              0.0000
px                                     0              0.8124              0.8124              1.6248              0.0000
py                                     0              0.8124              0.8124              1.6248              0.0000
SUM OVER M                                            2.4373              2.4373              4.8745              0.0000
pz                                     1             -0.0077             -0.0077             -0.0154              0.0000
px                                     1             -0.0077             -0.0077             -0.0154             -0.0000
py                                     1             -0.0077             -0.0077             -0.0154              0.0000
SUM OVER M                                           -0.0231             -0.0231             -0.0461              0.0000
SUM OVER M+Zeta                                       2.4142              2.4142              4.8284              0.0000

dz^2                                   0              0.0011              0.0011              0.0022              0.0000
dxz                                    0              0.0016              0.0016              0.0032             -0.0000
dyz                                    0              0.0016              0.0016              0.0032              0.0000
dx^2-y^2                               0              0.0011              0.0011              0.0022              0.0000
dxy                                    0              0.0016              0.0016              0.0032              0.0000
SUM OVER M                                            0.0070              0.0070              0.0140              0.0000
SUM OVER M+Zeta                                       0.0070              0.0070              0.0140              0.0000

SUM OVER M+Zeta+L                                     3.3498              3.3498              6.6995             -0.0000

Total Charge on atom:                  O              6.6995
Total Magnetism on atom:               O             -0.0000


3                              Zeta of O              Spin 1              Spin 2                 Sum                Diff
s                                      0              0.9536              0.9536              1.9072             -0.0000
s                                      1             -0.0250             -0.0250             -0.0501              0.0000
SUM OVER M+Zeta                                       0.9286              0.9286              1.8571             -0.0000

pz                                     0              0.8124              0.8124              1.6248              0.0000
px                                     0              0.8124              0.8124              1.6248              0.0000
py                                     0              0.8124              0.8124              1.6248             -0.0000
SUM OVER M                                            2.4373              2.4373              4.8745              0.0000
pz                                     1             -0.0077             -0.0077             -0.0154             -0.0000
px                                     1             -0.0077             -0.0077             -0.0154             -0.0000
py                                     1             -0.0077             -0.0077             -0.0154              0.0000
SUM OVER M                                           -0.0231             -0.0231             -0.0461             -0.0000
SUM OVER M+Zeta                                       2.4142              2.4142              4.8284              0.0000

dz^2                                   0              0.0011              0.0011              0.0022              0.0000
dxz                                    0              0.0016              0.0016              0.0032             -0.0000
dyz                                    0              0.0016              0.0016              0.0032              0.0000
dx^2-y^2                               0              0.0011              0.0011              0.0022              0.0000
dxy                                    0              0.0016              0.0016              0.0032              0.0000
SUM OVER M                                            0.0070              0.0070              0.0140              0.0000
SUM OVER M+Zeta                                       0.0070              0.0070              0.0140              0.0000

SUM OVER M+Zeta+L                                     3.3498              3.3498              6.6995             -0.0000

Total Charge on atom:                  O              6.6995
Total Magnetism on atom:               O             -0.0000


