

ATOMS 
Mo         7.069365    9.730146    6.002007
Mo         9.713889    7.927773    4.887881
Mo         7.745424   10.660662    2.813798
Mo         4.538003   11.688274    4.887881
Mo         4.524975    9.588699    8.236932
Mo         7.721101    7.266578    8.236932
Mo        10.452913    4.926399    7.063966
Mo        10.471085    8.559874    1.234592
Mo         4.905181   12.603740    1.234592
Mo         1.455156   11.463652    7.063966
Mo         4.882722    6.720490   10.667005
Mo        11.438472   -3.716585    6.002007
Mo        10.517689   -1.340436    8.236932
Mo         9.296877   -5.097707    8.236932
Mo        10.541517   -6.788641    4.887881
Mo        12.532360   -4.072011    2.813798
Mo        12.518529   -0.704022    4.887881
Mo        11.352249    2.158528    7.063966
Mo         7.900410   -2.566999   10.667005
Mo         7.915412   -8.418970    7.063966
Mo        11.376667   -7.313447    1.234592
Mo        13.502654   -0.770334    1.234592
O          8.184043    9.287835    4.359733
O          6.289620    8.656919    7.544161
O          6.304248   10.653586    4.359733
O          5.134626   10.264900    6.329467
O          8.175813    8.055348    6.329467
O          7.962947   10.960056    6.777022
O         10.001461    6.228629    5.498025
O         10.011086    7.737280    3.094504
O         10.976111    8.916426    5.513213
O          6.402380   11.228596    1.711316
O          8.700585    9.558852    1.711316
O          8.736551   12.024831    3.156656
O          2.833156   11.436707    5.498025
O          5.088220   13.194229    5.513213
O          4.264995   11.912059    3.094504
O          2.827750   10.041407    7.732861
O          4.235836    8.071490    9.213987
O          5.075950   10.802373    9.325116
O          6.367498    6.522747    9.213987
O          8.676123    5.792316    7.732861
O          8.705112    8.165632    9.325116
O         11.717200    5.652110    7.958208
O         11.741646    9.676633    1.486330
O          5.574657   14.157213    1.486330
O          1.754662   12.890317    7.958208
O          5.555946    7.647104   11.937112
O         11.362264   -4.913389    4.359733
O         10.187557   -5.286421    6.329467
O         10.176819   -3.306649    7.544161
O         11.349187   -1.711291    6.329467
O         12.080282   -2.703557    4.359733
O         12.884319   -4.186369    6.777022
O          8.985389   -1.534292    9.213987
O         10.423769    0.413615    7.732861
O         11.842222   -1.489399    9.325116
O          8.171166   -4.040211    9.213987
O          8.189889   -6.461559    7.732861
O         10.456005   -5.755735    9.325116
O          9.014399   -7.587203    5.498025
O         10.452186   -7.130157    3.094504
O         11.871830   -7.683574    5.513213
O         12.657473   -2.619198    1.711316
O         11.779637   -5.320900    1.711316
O         14.136037   -4.593077    3.156656
O         12.646997   -0.375222    3.094504
O         11.752448    0.839645    5.498025
O         14.120804   -0.761944    5.513213
O         12.801640    2.314544    7.958208
O          8.989710   -2.920934   11.937112
O          8.996290   -9.397121    7.958208
O         12.831393   -8.176725    1.486330
O         15.186973   -0.926994    1.486330
Mo        11.376667    7.313447   -1.234592
Mo         3.439918   13.079833   -1.234592
Mo        -1.455156   11.463652    7.063966
Mo        13.502654    0.770334   -1.234592
Mo         3.431475    4.723021   12.206132
Mo         5.552244   -1.804033   12.206132
Mo         5.560920  -10.129609    7.063966
Mo        10.471085   -8.559874   -1.234592
O         11.779637    5.320900   -1.711316
O         10.452186    7.130157   -3.094504
O         12.831393    8.176725   -1.486330
O          1.420369   12.847349   -1.711316
O          3.551280   12.143959   -3.094504
O          3.811409   14.730127   -1.486330
O         -2.827750   10.041407    7.732861
O         -2.833156   11.436707    5.498025
O         -1.754662   12.890317    7.958208
O         12.646997    0.375222   -3.094504
O         12.657473    2.619198   -1.711316
O         15.186973    0.926994   -1.486330
O          3.542482    2.640518   12.203069
O          1.416595    4.185066   12.203069
O          3.804228    5.236070   13.794643
O          3.605969   -2.553136   12.203069
O          4.417986   -0.054005   12.203069
O          6.155370   -2.000001   13.794643
O          3.614493   -9.785779    7.732861
O          4.430256  -10.917778    5.498025
O          6.157187  -11.459850    7.958208
O          8.700585   -9.558852   -1.711316
O         10.011086   -7.737280   -3.094504
O         11.741646   -9.676633   -1.486330
Mo        12.532360    4.072011   -2.813798
Mo        10.541517    6.788641   -4.887881
Mo         0.000000   13.177303   -2.813798
Mo         3.198873   12.123383   -4.887881
Mo        -4.524975    9.588699    8.236932
Mo        -4.538003   11.688274    4.887881
Mo        12.518529    0.704022   -4.887881
Mo         1.977292   -2.721509   13.014518
O          0.000000   -1.976310   12.981022
O          1.879583   -0.610713   12.981022
O          1.313871   -4.218443   12.203069
O          2.264382   -3.116654   14.664682
Mo         0.000000    0.000000   13.463672
Mo        -1.977292   -2.721509   13.014518
Mo         3.199326    1.039524   13.014518
Mo         0.000000   -5.837975   12.206132
O         -1.161646    1.598869   12.981022
O          1.161646    1.598869   12.981022
O         -1.879583   -0.610713   12.981022
O          0.000000    0.000000   15.170171
O         -3.605969   -2.553136   12.203069
O         -1.313871   -4.218443   12.203069
O         -2.264382   -3.116654   14.664682
O          3.663846    1.190456   14.664682
O          0.000000   -6.472139   13.794643
Mo         0.000000    3.363970   13.014518
Mo        -3.199326    1.039524   13.014518
Mo        -5.552244   -1.804033   12.206132
Mo         0.000000   -8.306982   10.667005
O         -1.416595    4.185066   12.203069
O          0.000000    3.852396   14.664682
O         -3.542482    2.640518   12.203069
O         -4.417986   -0.054005   12.203069
O         -3.663846    1.190456   14.664682
O         -6.155370   -2.000001   13.794643
O         -1.317440   -9.019735    9.213987
O          1.317440   -9.019735    9.213987
O          0.000000   -9.452340   11.937112
Mo        -3.431475    4.723021   12.206132
Mo        -7.900410   -2.566999   10.667005
Mo        -1.975314  -10.417134    8.236932
Mo         1.975314  -10.417134    8.236932
O         -3.804228    5.236070   13.794643
O         -8.985389   -1.534292    9.213987
O         -8.171166   -4.040211    9.213987
O         -8.989710   -2.920934   11.937112
O          0.000000  -10.700541    7.544161
O         -1.879557  -11.322536    6.329467
O         -3.614493   -9.785779    7.732861
O         -2.242946  -11.722872    9.325116
O          1.879557  -11.322536    6.329467
O          2.242946  -11.722872    9.325116
Mo        -4.882722    6.720490   10.667005
Mo       -10.517689   -1.340436    8.236932
Mo        -9.296877   -5.097707    8.236932
Mo         0.000000  -12.027121    6.002007
Mo        -3.198873  -12.123383    4.887881
Mo        -5.560920  -10.129609    7.063966
Mo         3.198873  -12.123383    4.887881
O         -6.367498    6.522747    9.213987
O         -4.235836    8.071490    9.213987
O         -5.555946    7.647104   11.937112
O        -11.349187   -1.711291    6.329467
O        -10.176819   -3.306649    7.544161
O        -10.423769    0.413615    7.732861
O        -11.842222   -1.489399    9.325116
O        -10.187557   -5.286421    6.329467
O         -8.189889   -6.461559    7.732861
O        -10.456005   -5.755735    9.325116
O         -1.161777  -12.324476    4.359733
O          1.161777  -12.324476    4.359733
O          0.000000  -13.547375    6.777022
O         -3.551280  -12.143959    3.094504
O         -4.430256  -10.917778    5.498025
O         -3.638916  -13.665136    5.513213
O         -6.157187  -11.459850    7.958208
O          3.551280  -12.143959    3.094504
O          3.638916  -13.665136    5.513213
Mo        -7.721101    7.266578    8.236932
Mo       -11.438472   -3.716585    6.002007
Mo       -12.518529   -0.704022    4.887881
Mo       -11.352249    2.158528    7.063966
Mo       -10.541517   -6.788641    4.887881
Mo        -7.915412   -8.418970    7.063966
Mo         0.000000  -13.177303    2.813798
Mo        -3.439918  -13.079833    1.234592
Mo         3.439918  -13.079833    1.234592
O         -8.175813    8.055348    6.329467
O         -6.289620    8.656919    7.544161
O         -8.705112    8.165632    9.325116
O         -8.676123    5.792316    7.732861
O         -5.134626   10.264900    6.329467
O         -5.075950   10.802373    9.325116
O        -11.362264   -4.913389    4.359733
O        -12.080282   -2.703557    4.359733
O        -12.884319   -4.186369    6.777022
O        -11.752448    0.839645    5.498025
O        -12.646997   -0.375222    3.094504
O        -14.120804   -0.761944    5.513213
O        -12.801640    2.314544    7.958208
O         -9.014399   -7.587203    5.498025
O        -10.452186   -7.130157    3.094504
O        -11.871830   -7.683574    5.513213
O         -8.996290   -9.397121    7.958208
O         -1.420369  -12.847349    1.711316
O          1.420369  -12.847349    1.711316
O          0.000000  -14.863509    3.156656
O         -3.811409  -14.730127    1.486330
O          3.811409  -14.730127    1.486330
Mo        -7.069365    9.730146    6.002007
Mo        -9.713889    7.927773    4.887881
Mo       -10.452913    4.926399    7.063966
Mo       -12.532360   -4.072011    2.813798
Mo       -13.502654   -0.770334    1.234592
Mo       -11.376667   -7.313447    1.234592
Mo        -4.905181  -12.603740   -1.234592
Mo         4.905181  -12.603740   -1.234592
O         -8.184043    9.287835    4.359733
O         -6.304248   10.653586    4.359733
O         -7.962947   10.960056    6.777022
O        -10.001461    6.228629    5.498025
O        -10.011086    7.737280    3.094504
O        -10.976111    8.916426    5.513213
O        -11.717200    5.652110    7.958208
O         -4.264995   11.912059    3.094504
O         -5.088220   13.194229    5.513213
O        -12.657473   -2.619198    1.711316
O        -11.779637   -5.320900    1.711316
O        -14.136037   -4.593077    3.156656
O        -15.186973   -0.926994    1.486330
O        -12.831393   -8.176725    1.486330
O         -6.402380  -11.228596   -1.711316
O         -4.264995  -11.912059   -3.094504
O         -5.574657  -14.157213   -1.486330
O          6.402380  -11.228596   -1.711316
O          4.264995  -11.912059   -3.094504
O          5.574657  -14.157213   -1.486330
Mo        -7.745424   10.660662    2.813798
Mo       -10.471085    8.559874    1.234592
Mo        -4.905181   12.603740    1.234592
Mo       -13.502654    0.770334   -1.234592
Mo       -10.471085   -8.559874   -1.234592
Mo        -7.745424  -10.660662   -2.813798
Mo        -4.538003  -11.688274   -4.887881
Mo         7.745424  -10.660662   -2.813798
Mo         4.538003  -11.688274   -4.887881
O         -6.402380   11.228596    1.711316
O         -8.700585    9.558852    1.711316
O         -8.736551   12.024831    3.156656
O        -11.741646    9.676633    1.486330
O         -5.574657   14.157213    1.486330
O        -12.657473    2.619198   -1.711316
O        -12.646997    0.375222   -3.094504
O        -15.186973    0.926994   -1.486330
O        -10.011086   -7.737280   -3.094504
O         -8.700585   -9.558852   -1.711316
O        -11.741646   -9.676633   -1.486330
O         -8.184043   -9.287835   -4.359733
O         -6.304248  -10.653586   -4.359733
O         -8.736551  -12.024831   -3.156656
O         -5.134626  -10.264900   -6.329467
O         -2.833156  -11.436707   -5.498025
O         -5.088220  -13.194229   -5.513213
O          8.184043   -9.287835   -4.359733
O          6.304248  -10.653586   -4.359733
O          8.736551  -12.024831   -3.156656
O          5.134626  -10.264900   -6.329467
O          2.833156  -11.436707   -5.498025
O          5.088220  -13.194229   -5.513213
Mo       -11.376667    7.313447   -1.234592
Mo        -3.439918   13.079833   -1.234592
Mo       -12.532360    4.072011   -2.813798
Mo       -12.518529    0.704022   -4.887881
Mo        -9.713889   -7.927773   -4.887881
Mo        -7.069365   -9.730146   -6.002007
Mo        -4.524975   -9.588699   -8.236932
Mo        -1.455156  -11.463652   -7.063966
Mo         7.069365   -9.730146   -6.002007
Mo         9.713889   -7.927773   -4.887881
Mo         4.524975   -9.588699   -8.236932
Mo         1.455156  -11.463652   -7.063966
O        -10.452186    7.130157   -3.094504
O        -11.779637    5.320900   -1.711316
O        -12.831393    8.176725   -1.486330
O         -1.420369   12.847349   -1.711316
O         -3.551280   12.143959   -3.094504
O         -3.811409   14.730127   -1.486330
O        -11.362264    4.913389   -4.359733
O        -12.080282    2.703557   -4.359733
O        -14.136037    4.593077   -3.156656
O        -11.349187    1.711291   -6.329467
O        -11.752448   -0.839645   -5.498025
O        -14.120804    0.761944   -5.513213
O         -8.175813   -8.055348   -6.329467
O        -10.001461   -6.228629   -5.498025
O        -10.976111   -8.916426   -5.513213
O         -6.289620   -8.656919   -7.544161
O         -7.962947  -10.960056   -6.777022
O         -2.827750  -10.041407   -7.732861
O         -4.235836   -8.071490   -9.213987
O         -5.075950  -10.802373   -9.325116
O         -1.754662  -12.890317   -7.958208
O          8.175813   -8.055348   -6.329467
O          6.289620   -8.656919   -7.544161
O          7.962947  -10.960056   -6.777022
O         10.001461   -6.228629   -5.498025
O         10.976111   -8.916426   -5.513213
O          4.235836   -8.071490   -9.213987
O          2.827750  -10.041407   -7.732861
O          5.075950  -10.802373   -9.325116
O          1.754662  -12.890317   -7.958208
Mo       -10.541517    6.788641   -4.887881
Mo        -3.198873   12.123383   -4.887881
Mo       -11.438472    3.716585   -6.002007
Mo       -10.517689    1.340436   -8.236932
Mo       -11.352249   -2.158528   -7.063966
Mo        -7.721101   -7.266578   -8.236932
Mo       -10.452913   -4.926399   -7.063966
Mo        -4.882722   -6.720490  -10.667005
Mo         7.721101   -7.266578   -8.236932
Mo        10.452913   -4.926399   -7.063966
Mo         4.882722   -6.720490  -10.667005
O        -10.187557    5.286421   -6.329467
O         -9.014399    7.587203   -5.498025
O        -11.871830    7.683574   -5.513213
O          1.161777   12.324476   -4.359733
O         -1.161777   12.324476   -4.359733
O          0.000000   14.863509   -3.156656
O         -1.879557   11.322536   -6.329467
O         -4.430256   10.917778   -5.498025
O         -3.638916   13.665136   -5.513213
O        -10.176819    3.306649   -7.544161
O        -12.884319    4.186369   -6.777022
O         -8.985389    1.534292   -9.213987
O        -10.423769   -0.413615   -7.732861
O        -11.842222    1.489399   -9.325116
O        -12.801640   -2.314544   -7.958208
O         -6.367498   -6.522747   -9.213987
O         -8.676123   -5.792316   -7.732861
O         -8.705112   -8.165632   -9.325116
O        -11.717200   -5.652110   -7.958208
O         -5.555946   -7.647104  -11.937112
O          6.367498   -6.522747   -9.213987
O          8.705112   -8.165632   -9.325116
O          8.676123   -5.792316   -7.732861
O         11.717200   -5.652110   -7.958208
O          5.555946   -7.647104  -11.937112
Mo        -9.296877    5.097707   -8.236932
Mo        -7.915412    8.418970   -7.063966
Mo         0.000000   12.027121   -6.002007
Mo        -1.975314   10.417134   -8.236932
Mo        -5.560920   10.129609   -7.063966
Mo        -7.900410    2.566999  -10.667005
Mo        -3.431475   -4.723021  -12.206132
Mo        11.352249   -2.158528   -7.063966
Mo         3.431475   -4.723021  -12.206132
O         -8.171166    4.040211   -9.213987
O         -8.189889    6.461559   -7.732861
O        -10.456005    5.755735   -9.325116
O         -8.996290    9.397121   -7.958208
O          0.000000   10.700541   -7.544161
O          1.879557   11.322536   -6.329467
O          0.000000   13.547375   -6.777022
O          4.430256   10.917778   -5.498025
O          3.638916   13.665136   -5.513213
O         -3.614493    9.785779   -7.732861
O         -1.317440    9.019735   -9.213987
O         -2.242946   11.722872   -9.325116
O         -6.157187   11.459850   -7.958208
O         -8.989710    2.920934  -11.937112
O         -3.542482   -2.640518  -12.203069
O         -1.416595   -4.185066  -12.203069
O         -3.804228   -5.236070  -13.794643
O         10.423769   -0.413615   -7.732861
O         11.752448   -0.839645   -5.498025
O         12.801640   -2.314544   -7.958208
O          1.416595   -4.185066  -12.203069
O          3.542482   -2.640518  -12.203069
O          3.804228   -5.236070  -13.794643
Mo         1.975314   10.417134   -8.236932
Mo         5.560920   10.129609   -7.063966
Mo         0.000000    8.306982  -10.667005
Mo        -5.552244    1.804033  -12.206132
Mo        -3.199326   -1.039524  -13.014518
Mo         0.000000   -3.363970  -13.014518
Mo        10.517689    1.340436   -8.236932
Mo         3.199326   -1.039524  -13.014518
O          3.614493    9.785779   -7.732861
O          1.317440    9.019735   -9.213987
O          2.242946   11.722872   -9.325116
O          6.157187   11.459850   -7.958208
O          0.000000    9.452340  -11.937112
O         -3.605969    2.553136  -12.203069
O         -4.417986    0.054005  -12.203069
O         -6.155370    2.000001  -13.794643
O         -1.879583    0.610713  -12.981022
O         -1.161646   -1.598869  -12.981022
O         -3.663846   -1.190456  -14.664682
O          1.161646   -1.598869  -12.981022
O          0.000000   -3.852396  -14.664682
O         11.349187    1.711291   -6.329467
O         10.176819    3.306649   -7.544161
O          8.985389    1.534292   -9.213987
O         11.842222    1.489399   -9.325116
O         12.080282    2.703557   -4.359733
O         14.120804    0.761944   -5.513213
O          1.879583    0.610713  -12.981022
O          4.417986    0.054005  -12.203069
O          3.663846   -1.190456  -14.664682
Mo         7.915412    8.418970   -7.063966
Mo         0.000000    5.837975  -12.206132
Mo        -1.977292    2.721509  -13.014518
Mo         0.000000    0.000000  -13.463672
Mo        11.438472    3.716585   -6.002007
Mo         9.296877    5.097707   -8.236932
Mo         7.900410    2.566999  -10.667005
Mo         1.977292    2.721509  -13.014518
Mo         5.552244    1.804033  -12.206132
O          9.014399    7.587203   -5.498025
O          8.189889    6.461559   -7.732861
O          8.996290    9.397121   -7.958208
O          1.313871    4.218443  -12.203069
O         -1.313871    4.218443  -12.203069
O          0.000000    6.472139  -13.794643
O          0.000000    1.976310  -12.981022
O         -2.264382    3.116654  -14.664682
O          0.000000    0.000000  -15.170171
O         11.362264    4.913389   -4.359733
O         10.187557    5.286421   -6.329467
O         12.884319    4.186369   -6.777022
O          8.171166    4.040211   -9.213987
O         10.456005    5.755735   -9.325116
O          8.989710    2.920934  -11.937112
O         14.136037    4.593077   -3.156656
O          3.605969    2.553136  -12.203069
O          2.264382    3.116654  -14.664682
O          6.155370    2.000001  -13.794643
O         11.871830    7.683574   -5.513213
S         -1.804411    6.845277  -11.072270
S          1.804411    6.845277  -11.072270
S          5.960056    8.203313   -8.363849
S          7.085916    9.752927   -5.306758
S          5.952652    3.831404  -11.072270
S          7.067839    0.399210  -11.072270
S          2.563754   -6.598552  -11.072270
S          5.483352   -4.477340  -11.072270
S          9.643573   -3.133387   -8.363849
S         11.465254   -3.725287   -5.306758
S          0.000000  -12.055281   -5.306758
S          0.000000  -10.139853   -8.363849
S         -5.483352   -4.477340  -11.072270
S         -2.563754   -6.598552  -11.072270
S         -2.583010  -12.902795   -0.953341
S         -5.494373  -11.956836    0.953341
S          2.583010  -12.902795   -0.953341
S          5.494373  -11.956836    0.953341
S         -7.085916   -9.752927    5.306758
S         -5.960056   -8.203313    8.363849
S         -9.673772   -8.920325    0.953341
S        -11.473093   -6.443772   -0.953341
S         -7.067839   -0.399210   11.072270
S         -5.952652   -3.831404   11.072270
S         -1.804411   -6.845277   11.072270
S          1.804411   -6.845277   11.072270
S         -5.483352    4.477340   11.072270
S         -2.563754    6.598552   11.072270
S         -9.643573    3.133387    8.363849
S        -11.465254    3.725287    5.306758
S          0.000000   12.055281    5.306758
S          0.000000   10.139853    8.363849
S          2.563754    6.598552   11.072270
S          5.483352    4.477340   11.072270
S         -5.494373   11.956836   -0.953341
S         -2.583010   12.902795    0.953341
S          2.583010   12.902795    0.953341
S          5.494373   11.956836   -0.953341
S          9.673772    8.920325   -0.953341
S         11.473093    6.443772    0.953341
S         13.069482   -1.530594   -0.953341
S         13.069482    1.530594    0.953341
S         11.473093   -6.443772   -0.953341
S          9.673772   -8.920325    0.953341
S          7.085916   -9.752927    5.306758
S          5.960056   -8.203313    8.363849
S         -7.067839    0.399210  -11.072270
S         -5.952652    3.831404  -11.072270
S         -9.643573   -3.133387   -8.363849
S        -11.465254   -3.725287   -5.306758
S         -9.673772    8.920325   -0.953341
S        -11.473093    6.443772    0.953341
S         -7.085916    9.752927   -5.306758
S         -5.960056    8.203313   -8.363849
S        -13.069482   -1.530594   -0.953341
S        -13.069482    1.530594    0.953341
S         11.465254    3.725287    5.306758
S          9.643573    3.133387    8.363849
S          5.952652   -3.831404   11.072270
S          7.067839   -0.399210   11.072270
END


CHARGE -12 0

relativistic scalar ZORA

SYMMETRY D(5D)

Geometry
 Branch Old
 Optim Cartesian
 Converge Grad=0.01
 Iterations 150
End

integration 4.5 4.5 4.5

SOLVATION
  SOLV name=water
END

XC
 GGA BP86
END

BASIS
 TYPE TZP
end 

SCF
  iterations 300
END

endinput
