Ni
	x	y	z
x     7.437    0.000    0.000
y    -3.718    6.441    0.000
z     0.000    0.000   21.072

Ni-relax
Ni1    1.239   2.147   2.000
Ni2    4.958   0.000   2.000
Ni3   -2.479   4.294   2.000
Ni4    0.000   0.000   2.000
Ni5   -1.239   2.147   2.000
Ni6   -0.000   4.294   2.000
Ni7    2.479   4.294   2.000
Ni8    3.718   2.147   2.000
Ni9    2.479   0.000   2.000
Ni10    2.479   5.725   4.000
Ni11    4.958   1.431   4.000
Ni12   -2.479   5.725   4.000
Ni13    0.000   1.431   4.000
Ni14    3.719   3.578   4.000
Ni15   -1.239   3.578   4.000
Ni16    1.240   3.578   4.000
Ni17    2.479   1.431   4.000
Ni18    0.000   5.725   4.000
Ni19   -0.000   2.862   6.005
Ni20    4.958   2.862   6.005
Ni21    3.718   0.716   6.005
Ni22    1.239   5.009   6.005
Ni23    2.479   2.863   6.005
Ni24    3.718   5.009   6.005
Ni25    1.239   0.716   6.005
Ni26   -1.240   5.009   6.005
Ni27    6.197   0.716   6.005
Ni28    4.958   0.000   8.003
Ni29    3.718   2.147   8.003
Ni30   -0.000   4.294   8.003
Ni31    2.479   0.000   8.003
Ni32   -1.240   2.147   8.003
Ni33    0.000   0.000   8.003
Ni34   -2.479   4.294   8.003
Ni35    1.239   2.147   8.003
Ni36    2.479   4.294   8.003

Ni-NO
O1    0.925   2.184  10.994
N2    1.024   2.161   9.826
Ni3    1.239   2.147   2.000
Ni4    4.958   0.000   2.000
Ni5   -2.479   4.294   2.000
Ni6    0.000   0.000   2.000
Ni7   -1.239   2.147   2.000
Ni8   -0.000   4.294   2.000
Ni9    2.479   4.294   2.000
Ni10    3.718   2.147   2.000
Ni11    2.479   0.000   2.000
Ni12    2.472   5.710   3.996
Ni13    4.952   1.415   3.996
Ni14   -2.485   5.712   4.000
Ni15   -0.004   1.417   4.003
Ni16    3.711   3.561   4.001
Ni17   -1.244   3.562   4.000
Ni18    1.233   3.561   4.003
Ni19    2.471   1.417   4.003
Ni20   -0.006   5.709   3.996
Ni21    0.004   2.833   6.017
Ni22    4.949   2.841   5.992
Ni23    3.708   0.696   5.996
Ni24    1.230   4.987   5.996
Ni25    2.451   2.832   6.023
Ni26    3.708   4.989   5.989
Ni27    1.229   0.713   6.018
Ni28   -1.249   4.988   5.988
Ni29    6.191   0.697   5.996
Ni30    1.232   6.420   7.992
Ni31    3.738   2.123   7.985
Ni32   -0.022   4.304   7.980
Ni33   -1.229   6.394   7.977
Ni34    6.153   2.124   7.986
Ni35    3.692   6.386   7.981
Ni36    4.950   4.273   7.980
Ni37    1.241   2.123   8.171
Ni38    2.486   4.298   7.982

Ni-HNO
H1    0.493   2.365  10.531
O2    2.386   2.193  10.691
N3    1.360   2.241   9.973
Ni4    1.239   2.147   2.000
Ni5    4.958   0.000   2.000
Ni6   -2.479   4.294   2.000
Ni7    0.000   0.000   2.000
Ni8   -1.239   2.147   2.000
Ni9   -0.000   4.294   2.000
Ni10    2.479   4.294   2.000
Ni11    3.718   2.147   2.000
Ni12    2.479   0.000   2.000
Ni13    2.476   5.728   3.997
Ni14    4.954   1.435   3.998
Ni15   -2.483   5.730   4.001
Ni16   -0.002   1.436   4.006
Ni17    3.714   3.582   4.001
Ni18   -1.243   3.582   4.000
Ni19    1.236   3.579   4.005
Ni20    2.473   1.436   4.006
Ni21   -0.005   5.729   3.998
Ni22    0.013   2.860   6.020
Ni23    4.954   2.870   5.995
Ni24    3.716   0.722   5.999
Ni25    1.235   5.014   5.995
Ni26    2.465   2.859   6.022
Ni27    3.718   5.016   6.000
Ni28    1.236   0.744   6.027
Ni29   -1.244   5.013   5.995
Ni30    6.195   0.718   5.999
Ni31    4.959   0.004   8.001
Ni32    3.746   2.149   7.997
Ni33   -0.009   4.314   7.989
Ni34   -1.231   6.425   7.982
Ni35    6.180   2.150   7.977
Ni36   -0.009  -0.006   7.999
Ni37   -2.478   4.297   8.001
Ni38    1.246   2.148   8.187
Ni39    2.486   4.322   7.980

Ni-HNOH
H1    0.518   2.452  10.602
H2    2.222   2.340  11.683
O3    2.466   2.151  10.750
N4    1.317   2.273   9.985
Ni5    1.239   2.147   2.000
Ni6    4.958   0.000   2.000
Ni7   -2.479   4.294   2.000
Ni8    0.000   0.000   2.000
Ni9   -1.239   2.147   2.000
Ni10   -0.000   4.294   2.000
Ni11    2.479   4.294   2.000
Ni12    3.718   2.147   2.000
Ni13    2.479   0.000   2.000
Ni14    2.486   5.727   3.999
Ni15    4.965   1.432   3.998
Ni16   -2.473   5.727   4.005
Ni17    0.008   1.433   4.006
Ni18    3.724   3.581   4.003
Ni19   -1.232   3.581   4.002
Ni20    1.246   3.579   4.006
Ni21    2.484   1.433   4.006
Ni22    0.006   5.726   3.999
Ni23    0.028   2.855   6.024
Ni24    4.968   2.866   5.996
Ni25    3.728   0.717   6.000
Ni26    1.250   5.008   6.003
Ni27    2.476   2.856   6.022
Ni28    3.728   5.011   6.008
Ni29    1.248   0.740   6.032
Ni30   -1.228   5.010   6.003
Ni31    6.210   0.715   6.002
Ni32    4.970  -0.001   8.001
Ni33    3.761   2.144   7.984
Ni34    0.001   4.307   8.001
Ni35   -1.217   6.421   7.990
Ni36   -1.248   2.145   7.980
Ni37    0.001  -0.010   8.006
Ni38   -2.467   4.293   8.002
Ni39    1.260   2.138   8.190
Ni40    2.497   4.311   7.998

Ni-NH2OH
H1    0.793   1.365  10.577
H2    0.831   3.023  10.528
H3    2.498   2.294  11.725
O4    2.626   2.159  10.761
N5    1.292   2.172  10.187
Ni6    1.239   2.147   2.000
Ni7    4.958   0.000   2.000
Ni8   -2.479   4.294   2.000
Ni9    0.000   0.000   2.000
Ni10   -1.239   2.147   2.000
Ni11   -0.000   4.294   2.000
Ni12    2.479   4.294   2.000
Ni13    3.718   2.147   2.000
Ni14    2.479   0.000   2.000
Ni15    2.477   5.728   3.998
Ni16    4.956   1.435   3.999
Ni17   -2.481   5.731   4.003
Ni18    0.000   1.435   4.006
Ni19    3.715   3.579   4.004
Ni20   -1.240   3.578   4.005
Ni21    1.238   3.578   4.008
Ni22    2.475   1.435   4.007
Ni23   -0.002   5.728   3.999
Ni24    0.017   2.855   6.032
Ni25    4.955   2.867   6.008
Ni26    3.717   0.722   6.006
Ni27    1.238   5.014   6.000
Ni28    2.465   2.856   6.033
Ni29    3.719   5.013   6.000
Ni30    1.239   0.739   6.030
Ni31   -1.243   5.012   6.000
Ni32    6.196   0.720   6.002
Ni33    4.960   0.001   8.008
Ni34    3.737   2.149   8.011
Ni35   -0.006   4.309   7.987
Ni36    2.488  -0.013   7.989
Ni37   -1.248   2.147   7.998
Ni38   -0.009  -0.007   7.989
Ni39   -2.477   4.299   8.007
Ni40    1.248   2.148   8.207
Ni41    2.485   4.314   7.988

Ni-NH2
H1   -0.002   2.738  10.207
H2    1.413   3.580  10.198
N3    0.700   3.162   9.594
Ni4    1.239   2.147   2.000
Ni5    4.958   0.000   2.000
Ni6   -2.479   4.294   2.000
Ni7    0.000   0.000   2.000
Ni8   -1.239   2.147   2.000
Ni9   -0.000   4.294   2.000
Ni10    2.479   4.294   2.000
Ni11    3.718   2.147   2.000
Ni12    2.479   0.000   2.000
Ni13    2.497   5.685   3.999
Ni14    4.977   1.393   3.998
Ni15   -2.458   5.689   4.001
Ni16    0.023   1.393   4.010
Ni17    3.736   3.539   3.997
Ni18   -1.219   3.545   4.009
Ni19    1.259   3.540   4.005
Ni20    2.497   1.390   4.004
Ni21    0.017   5.685   4.005
Ni22    0.041   2.811   6.018
Ni23    4.988   2.810   5.995
Ni24    3.753   0.657   6.005
Ni25    1.263   4.946   6.014
Ni26    2.504   2.797   6.010
Ni27    3.760   4.956   5.989
Ni28    1.279   0.677   6.031
Ni29   -1.187   4.948   6.031
Ni30    6.233   0.651   5.997
Ni31    1.277   6.370   8.002
Ni32    3.760   2.071   7.997
Ni33    0.034   4.217   8.133
Ni34   -1.196   6.370   8.008
Ni35    6.186   2.045   7.956
Ni36   -3.675   6.365   7.998
Ni37   -2.441   4.224   7.995
Ni38    1.279   2.071   8.128
Ni39    2.572   4.251   7.954

Ni-NH3
H1    0.759   3.197  10.489
H2    0.625   1.558  10.601
H3    2.117   2.269  10.589
N4    1.178   2.314  10.189
Ni5    1.239   2.147   2.000
Ni6    4.958   0.000   2.000
Ni7   -2.479   4.294   2.000
Ni8    0.000   0.000   2.000
Ni9   -1.239   2.147   2.000
Ni10   -0.000   4.294   2.000
Ni11    2.479   4.294   2.000
Ni12    3.718   2.147   2.000
Ni13    2.479   0.000   2.000
Ni14    2.477   5.736   3.995
Ni15    4.955   1.442   3.998
Ni16   -2.482   5.740   4.001
Ni17   -0.001   1.442   4.005
Ni18    3.714   3.588   4.002
Ni19   -1.240   3.588   4.001
Ni20    1.238   3.586   4.003
Ni21    2.475   1.442   4.006
Ni22   -0.004   5.736   3.995
Ni23    0.010   2.871   6.021
Ni24    4.953   2.882   5.999
Ni25    3.713   0.733   6.001
Ni26    1.236   5.025   5.994
Ni27    2.459   2.870   6.025
Ni28    3.717   5.027   5.999
Ni29    1.235   0.756   6.033
Ni30   -1.248   5.029   5.998
Ni31    6.193   0.733   5.999
Ni32    4.952   0.015   8.001
Ni33    3.726   2.160   7.984
Ni34   -0.016   4.331   7.970
Ni35    2.478   0.011   7.994
Ni36   -1.260   2.160   7.980
Ni37   -0.012   0.008   7.990
Ni38   -2.485   4.310   8.001
Ni39    1.230   2.175   8.202
Ni40    2.480   4.328   7.978

Ni-C3H5O3N
H1    2.683   5.777  10.783
H2    0.956   5.426  10.499
H3    3.094   1.648  10.864
H4    1.771   4.759  11.941
H5   -0.255   2.121  10.691
O6    4.704   4.144  10.180
O7    3.956   2.123  10.760
O8    0.256   2.956  10.756
N9    1.436   2.684  10.034
C10    3.723   3.362  10.294
C11    2.299   3.787  10.088
C12    1.901   5.017  10.877
Ni13    1.239   2.147   2.000
Ni14    4.958   0.000   2.000
Ni15   -2.479   4.294   2.000
Ni16    0.000   0.000   2.000
Ni17   -1.239   2.147   2.000
Ni18   -0.000   4.294   2.000
Ni19    2.479   4.294   2.000
Ni20    3.718   2.147   2.000
Ni21    2.479   0.000   2.000
Ni22    2.477   5.706   4.004
Ni23    4.956   1.419   3.997
Ni24   -2.485   5.710   4.011
Ni25   -0.001   1.414   4.000
Ni26    3.716   3.566   4.010
Ni27   -1.238   3.564   4.004
Ni28    1.239   3.559   4.005
Ni29    2.473   1.412   4.001
Ni30   -0.007   5.703   3.998
Ni31    0.018   2.832   6.015
Ni32    4.956   2.860   6.007
Ni33    3.711   0.689   5.975
Ni34    1.242   4.977   6.003
Ni35    2.469   2.837   6.015
Ni36    3.705   4.975   6.037
Ni37    1.232   0.719   6.029
Ni38   -1.269   4.983   6.016
Ni39    6.193   0.692   5.984
Ni40    1.237   6.421   7.964
Ni41    3.735   2.084   7.941
Ni42   -0.036   4.294   7.956
Ni43   -1.236   6.426   7.975
Ni44    6.194   2.110   7.954
Ni45    7.415  -0.003   7.979
Ni46   -2.485   4.295   8.124
Ni47    1.230   2.139   8.217
Ni48    2.445   4.257   8.092
