

ATOMS 
Mo       3.01695000       7.87032000      10.47995000
Mo      -3.01695000      -7.87032000     -10.47995000
Mo       3.17078000       7.68093000     -10.57463000
Mo       3.39356000      -7.77752000     -10.43395000
Mo      -3.23973000       7.58813000     -10.62063000
Mo       3.23973000      -7.58813000      10.62063000
Mo      -3.39356000       7.77752000      10.43395000
Mo      -3.17078000      -7.68093000      10.57463000
Mo       7.55365000      10.66620000       3.17003000
Mo      -7.55365000     -10.66620000      -3.17003000
Mo       7.60056000      10.60844000      -3.25068000
Mo       7.90393000     -10.44242000      -3.05911000
Mo      -7.85702000      10.38467000      -3.36160000
Mo       7.85702000     -10.38467000       3.36160000
Mo      -7.90393000      10.44242000       3.05911000
Mo      -7.60056000     -10.60844000       3.25068000
Mo       1.82488000       4.66407000      12.48638000
Mo      -1.82488000      -4.66407000     -12.48638000
Mo       2.00774000       4.43895000     -12.54026000
Mo       2.13810000      -4.60670000     -12.45794000
Mo      -1.95525000       4.38158000     -12.56870000
Mo       1.95525000      -4.38158000      12.56870000
Mo      -2.13810000       4.60670000      12.45794000
Mo      -2.00774000      -4.43895000      12.54026000
Mo      12.44165000       2.20340000       4.59410000
Mo     -12.44165000      -2.20340000      -4.59410000
Mo      12.50773000       2.12204000      -4.45072000
Mo      12.56485000      -1.84139000      -4.41465000
Mo     -12.49877000       1.76003000      -4.63016000
Mo      12.49877000      -1.76003000       4.63016000
Mo     -12.56485000       1.84139000       4.41465000
Mo     -12.50773000      -2.12204000       4.45072000
Mo       9.22563000       0.22201000       9.78597000
Mo      -9.22563000      -0.22201000      -9.78597000
Mo       9.36766000       0.04716000      -9.65254000
Mo      -9.36766000      -0.04716000       9.65254000
Mo       7.52348000       3.61604000      10.27353000
Mo      -7.52348000      -3.61604000     -10.27353000
Mo       7.67325000       3.43165000     -10.22589000
Mo       7.77163000      -3.39462000     -10.16377000
Mo      -7.62185000       3.21022000     -10.33565000
Mo       7.62185000      -3.21022000      10.33565000
Mo      -7.77163000       3.39462000      10.16377000
Mo      -7.67325000      -3.43165000      10.22589000
Mo      10.93418000       5.71756000       4.75419000
Mo     -10.93418000      -5.71756000      -4.75419000
Mo      11.00323000       5.63256000      -4.69601000
Mo      11.16219000      -5.39768000      -4.59563000
Mo     -11.09315000       5.31267000      -4.85458000
Mo      11.09315000      -5.31267000       4.85458000
Mo     -11.16219000       5.39768000       4.59563000
Mo     -11.00323000      -5.63256000       4.69601000
Mo      -0.11537000       1.43599000      13.18084000
Mo       0.11537000      -1.43599000     -13.18084000
Mo       0.07741000       1.19865000     -13.20481000
Mo      -0.07741000      -1.19865000      13.20481000
Mo      10.10344000       7.81932000       3.41001000
Mo     -10.10344000      -7.81932000      -3.41001000
Mo      10.15321000       7.75804000      -3.40213000
Mo      10.37343000      -7.52288000      -3.26307000
Mo     -10.32366000       7.46160000      -3.54907000
Mo      10.32366000      -7.46160000       3.54907000
Mo     -10.37343000       7.52288000       3.26307000
Mo     -10.15321000      -7.75804000       3.40213000
Mo       5.37001000       4.91076000      11.06376000
Mo      -5.37001000      -4.91076000     -11.06376000
Mo       5.53173000       4.71166000     -11.07067000
Mo       5.66810000      -4.75097000     -10.98455000
Mo      -5.50638000       4.55186000     -11.14988000
Mo       5.50638000      -4.55186000      11.14988000
Mo      -5.66810000       4.75097000      10.98455000
Mo      -5.53173000      -4.71166000      11.07067000
O       1.72059000       6.39916000      11.27944000
O      -1.72059000      -6.39916000     -11.27944000
O       1.88604000       6.19545000     -11.36638000
O       2.06676000      -6.34433000     -11.25226000
O      -1.90130000       6.14062000     -11.39356000
O       1.90130000      -6.14062000      11.39356000
O      -2.06676000       6.34433000      11.25226000
O      -1.88604000      -6.19545000      11.36638000
O       8.01647000      10.29052000       1.13818000
O      -8.01647000     -10.29052000      -1.13818000
O       8.03359000      10.26944000      -1.20586000
O       8.32648000     -10.05393000      -1.02091000
O      -8.30936000      10.03284000      -1.32314000
O       8.30936000     -10.03284000       1.32314000
O      -8.32648000      10.05393000       1.02091000
O      -8.03359000     -10.26944000       1.20586000
O      -0.16163000       5.21095000      12.01148000
O       0.16163000      -5.21095000     -12.01148000
O       0.01456000       4.99403000     -12.10435000
O      -0.01456000      -4.99403000      12.10435000
O      11.25559000       2.11469000       6.34780000
O     -11.25559000      -2.11469000      -6.34780000
O      11.34741000       2.00165000      -6.21968000
O      11.40201000      -1.78668000      -6.18520000
O     -11.31019000       1.67364000      -6.38227000
O      11.31019000      -1.67364000       6.38227000
O     -11.40201000       1.78668000       6.18520000
O     -11.34741000      -2.00165000       6.21968000
O      10.09132000       1.39319000       8.25080000
O     -10.09132000      -1.39319000      -8.25080000
O      10.21098000       1.24587000      -8.12620000
O      10.24477000      -1.09879000      -8.10486000
O     -10.12511000       0.95147000      -8.27214000
O      10.12511000      -0.95147000       8.27214000
O     -10.24477000       1.09879000       8.10486000
O     -10.21098000      -1.24587000       8.12620000
O       3.34931000       8.87857000      11.85919000
O      -3.34931000      -8.87857000     -11.85919000
O       3.52339000       8.66425000     -11.96677000
O       3.77472000      -8.77544000     -11.80806000
O      -3.60064000       8.56112000     -12.01790000
O       3.60064000      -8.56112000      12.01790000
O      -3.77472000       8.77544000      11.80806000
O      -3.52339000      -8.66425000      11.96677000
O       8.52968000      12.05564000       3.54045000
O      -8.52968000     -12.05564000      -3.54045000
O       8.58208000      11.99113000      -3.63173000
O       8.92499000     -11.80296000      -3.41519000
O      -8.87258000      11.73844000      -3.75699000
O       8.87258000     -11.73844000       3.75699000
O      -8.92499000      11.80296000       3.41519000
O      -8.58208000     -11.99113000       3.63173000
O       2.02981000       5.32008000      14.08724000
O      -2.02981000      -5.32008000     -14.08724000
O       2.23612000       5.06609000     -14.14950000
O       2.38487000      -5.25617000     -14.05556000
O      -2.17857000       5.00218000     -14.18118000
O       2.17857000      -5.00218000      14.18118000
O      -2.38487000       5.25617000      14.05556000
O      -2.23612000      -5.06609000      14.14950000
O      14.03946000       2.46593000       5.22087000
O     -14.03946000      -2.46593000      -5.22087000
O      14.11456000       2.37347000      -5.05870000
O      14.17842000      -2.05743000      -5.01838000
O     -14.10331000       1.96496000      -5.26119000
O      14.10331000      -1.96496000       5.26119000
O     -14.17842000       2.05743000       5.01838000
O     -14.11456000      -2.37347000       5.05870000
O      10.45097000       0.25097000      11.02734000
O     -10.45097000      -0.25097000     -11.02734000
O      10.61100000       0.05394000     -10.87619000
O     -10.61100000      -0.05394000      10.87619000
O       4.32703000       6.61524000      10.43402000
O      -4.32703000      -6.61524000     -10.43402000
O       4.47989000       6.42705000     -10.48699000
O       4.66597000      -6.48505000     -10.36949000
O      -4.51312000       6.29686000     -10.55153000
O       4.51312000      -6.29686000      10.55153000
O      -4.66597000       6.48505000      10.36949000
O      -4.47989000      -6.42705000      10.48699000
O       8.54550000       9.21224000       3.60722000
O      -8.54550000      -9.21224000      -3.60722000
O       8.59850000       9.14698000      -3.64711000
O       8.85945000      -8.96027000      -3.48232000
O      -8.80645000       8.89501000      -3.77201000
O       8.80645000      -8.89501000       3.77201000
O      -8.85945000       8.96027000       3.48232000
O      -8.59850000      -9.14698000       3.64711000
O       1.24923000       2.95687000      12.70348000
O      -1.24923000      -2.95687000     -12.70348000
O       1.43509000       2.72805000     -12.73501000
O       1.51645000      -2.91683000     -12.68364000
O      -1.33058000       2.68801000     -12.75485000
O       1.33058000      -2.68801000      12.75485000
O      -1.51645000       2.91683000      12.68364000
O      -1.43509000      -2.72805000      12.73501000
O      11.74081000       3.84461000       4.26684000
O     -11.74081000      -3.84461000      -4.26684000
O      11.80240000       3.76878000      -4.16331000
O      11.90719000      -3.50226000      -4.09714000
O     -11.84559000       3.42643000      -4.33301000
O      11.84559000      -3.42643000       4.33301000
O     -11.90719000       3.50226000       4.09714000
O     -11.80240000      -3.76878000       4.16331000
O       8.10871000       1.60516000      10.14098000
O      -8.10871000      -1.60516000     -10.14098000
O       8.25622000       1.42355000     -10.04866000
O       8.29645000      -1.36767000     -10.02326000
O      -8.14894000       1.18606000     -10.16639000
O       8.14894000      -1.18606000      10.16639000
O      -8.29645000       1.36767000      10.02326000
O      -8.25622000      -1.42355000      10.04866000
O     -14.86935000      -0.20049000       1.51644000
O      -1.29728000      10.78311000      -0.10647000
O      -8.50005000       6.22340000       2.64062000
O      -9.12584000       4.30879000      -4.01345000
O      -9.18294000       4.37909000       3.80153000
O      -1.84310000      14.83030000      -0.14687000
O      -1.41497000     -14.87747000       0.12349000
O      -8.31789000      -6.41666000       2.75565000
C       5.01512000       3.33107000       8.30960000
O       0.98600000      10.81617000      -0.09009000
O      -0.98600000     -10.81617000       0.09009000
C      -5.01512000      -3.33107000      -8.30960000
O       9.18294000      -4.37909000      -3.80153000
O      -0.09564000       1.23874000      10.82806000
O       0.09564000      -1.23874000     -10.82806000
O       0.06274000       1.04375000     -10.84883000
O      -0.06274000      -1.04375000      10.84883000
O      -8.27758000      -6.46629000      -2.76102000
O       1.29728000     -10.78311000       0.10647000
O       8.31789000       6.41666000      -2.75565000
O       8.45974000      -6.17378000       2.87605000
O       8.50005000      -6.22340000      -2.64062000
O       8.99685000       4.64227000       3.93199000
O       1.35722000       0.13782000      12.99544000
O       9.12584000      -4.30879000       4.01345000
O      -1.35722000      -0.13782000     -12.99544000
O      -9.05394000      -4.57197000       3.88299000
O      -8.45974000       6.17378000      -2.87605000
O       1.54696000      -0.09578000     -12.97460000
O      -1.54696000       0.09578000      12.97460000
C       0.07511000      -0.09247000     -10.27953000
O       3.55505000      11.66390000       8.68198000
O       1.41497000      14.87747000      -0.12349000
C       5.13643000       3.18172000      -8.29401000
O      -3.55505000     -11.66390000      -8.68198000
C      -0.07511000       0.09247000      10.27953000
O       8.93818000       3.84182000       8.74339000
O      -8.93818000      -3.84182000      -8.74339000
O       9.06548000       3.68510000      -8.67956000
O       9.17017000      -3.57967000      -8.61345000
O      -9.04288000       3.42295000      -8.80950000
O       9.04288000      -3.42295000       8.80950000
O      -9.17017000       3.57967000       8.61345000
O      -9.06548000      -3.68510000       8.67956000
O      10.33255000       4.70077000       6.48705000
O     -10.33255000      -4.70077000      -6.48705000
O      10.42684000       4.58467000      -6.41890000
O      10.55630000      -4.39836000      -6.33715000
O     -10.46201000       4.28227000      -6.56880000
O      10.46201000      -4.28227000       6.56880000
O     -10.55630000       4.39836000       6.33715000
O     -10.42684000      -4.58467000       6.41890000
O       9.95718000       8.35426000       1.38987000
O      -9.95718000      -8.35426000      -1.38987000
O       9.97752000       8.32921000      -1.39429000
O      10.21375000      -8.06225000      -1.24512000
O     -10.19341000       8.03720000      -1.53904000
O      10.19341000      -8.03720000       1.53904000
O     -10.21375000       8.06225000       1.24512000
O      -9.97752000      -8.32921000       1.39429000
O       3.49333000       4.37798000      11.83442000
O      -3.49333000      -4.37798000     -11.83442000
O       3.66644000       4.16485000     -11.85895000
O       3.78804000      -4.27257000     -11.78217000
O      -3.61493000       4.05944000     -11.91120000
O       3.61493000      -4.05944000      11.91120000
O      -3.78804000       4.27257000      11.78217000
O      -3.66644000      -4.16485000      11.85895000
O       5.94612000       5.61338000      12.53617000
O      -5.94612000      -5.61338000     -12.53617000
O       6.12939000       5.38776000     -12.54690000
O       6.28538000      -5.43631000     -12.44840000
O      -6.10212000       5.21068000     -12.63468000
O       6.10212000      -5.21068000      12.63468000
O      -6.28538000       5.43631000      12.44840000
O      -6.12939000      -5.38776000      12.54690000
O      11.36346000       8.94335000       3.77957000
O     -11.36346000      -8.94335000      -3.77957000
O      11.41864000       8.87541000      -3.77340000
O      11.67063000      -8.60989000      -3.61428000
O     -11.61545000       8.54195000      -3.93870000
O      11.61545000      -8.54195000       3.93870000
O     -11.67063000       8.60989000       3.61428000
O     -11.41864000      -8.87541000       3.77340000
O      -0.13239000       1.77033000      14.87755000
O       0.13239000      -1.77033000     -14.87755000
O       0.08523000       1.50241000     -14.90733000
O      -0.08523000      -1.50241000      14.90733000
O      12.39057000       6.34401000       5.44286000
O     -12.39057000      -6.34401000      -5.44286000
O      12.46960000       6.24670000      -5.37448000
O      12.64583000      -5.98156000      -5.26319000
O     -12.56679000       5.88426000      -5.55414000
O      12.56679000      -5.88426000       5.55414000
O     -12.64583000       5.98156000       5.26319000
O     -12.46960000      -6.24670000       5.37448000
O       8.61573000       4.00782000      11.55570000
O      -8.61573000      -4.00782000     -11.55570000
O       8.78417000       3.80044000     -11.49881000
O       8.89305000      -3.75435000     -11.43006000
O      -8.72460000       3.54697000     -11.62445000
O       8.72460000      -3.54697000      11.62445000
O      -8.89305000       3.75435000      11.43006000
O      -8.78417000      -3.80044000      11.49881000
O       2.60393000       8.49313000       6.28849000
O      -2.60393000      -8.49313000      -6.28849000
O       2.69665000       8.37899000      -6.40153000
O       2.93864000      -8.41290000      -6.24872000
O      -2.84593000       8.29875000      -6.44131000
O       2.84593000      -8.29875000       6.44131000
O      -2.93864000       8.41290000       6.24872000
O      -2.69665000      -8.37899000       6.40153000
O       3.73952000       9.19768000       4.43699000
O      -3.73952000      -9.19768000      -4.43699000
O       3.80515000       9.11687000      -4.54661000
O       4.06746000      -9.08466000      -4.38097000
O      -4.00183000       9.00385000      -4.60263000
O       4.00183000      -9.00385000       4.60263000
O      -4.06746000       9.08466000       4.38097000
O      -3.80515000      -9.11687000       4.54661000
O       4.35708000       4.07155000       9.10564000
O      -4.35708000      -4.07155000      -9.10564000
O       4.49019000       3.90767000      -9.11278000
O       4.60331000      -3.94183000      -9.04134000
O      -4.47020000       3.77795000      -9.17708000
O       4.47020000      -3.77795000       9.17708000
O      -4.60331000       3.94183000       9.04134000
O      -4.49019000      -3.90767000       9.11278000
O      10.79003000       0.16660000       1.21939000
O     -10.79003000      -0.16660000      -1.21939000
O      10.80671000       0.14605000      -1.06441000
O     -10.80671000      -0.14605000       1.06441000
O       6.22245000       2.94843000       8.41856000
O      -6.22245000      -2.94843000      -8.41856000
O       6.34517000       2.79734000      -8.37842000
O       6.42534000      -2.76533000      -8.32779000
O      -6.30262000       2.61424000      -8.46918000
O       6.30262000      -2.61424000       8.46918000
O      -6.42534000       2.76533000       8.32779000
O      -6.34517000      -2.79734000       8.37842000
C       8.19165000       5.26683000       3.17241000
C      -8.19165000      -5.26683000      -3.17241000
C       8.23782000       5.20999000      -3.14661000
C       8.38535000      -5.02685000      -3.05345000
C      -8.33918000       4.97001000      -3.26557000
C       8.33918000      -4.97001000       3.26557000
C      -8.38535000       5.02685000       3.05345000
C      -8.23782000      -5.20999000       3.14661000
C       3.00688000       8.38824000       5.08791000
C      -3.00688000      -8.38824000      -5.08791000
C       3.08200000       8.29576000      -5.19350000
C       3.32112000      -8.29663000      -5.04250000
C      -3.24600000       8.20415000      -5.23891000
C       3.24600000      -8.20415000       5.23891000
C      -3.32112000       8.29663000       5.04250000
C      -3.08200000      -8.29576000       5.19350000
C      -0.14759000      10.24117000      -0.09320000
C       0.14759000     -10.24117000       0.09320000
Mo       9.57419000       9.43512000      -0.01492000
Mo       9.84209000      -9.15404000       0.15425000
Mo      -9.84209000       9.15404000      -0.15425000
Mo      -9.57419000      -9.43512000       0.01492000
Mo      10.41789000       3.43142000       7.77817000
Mo     -10.41789000      -3.43142000      -7.77817000
Mo      10.53087000       3.29232000      -7.68559000
Mo      10.62338000      -3.12681000      -7.62718000
Mo     -10.51040000       2.98771000      -7.83659000
Mo      10.51040000      -2.98771000       7.83659000
Mo     -10.62338000       3.12681000       7.62718000
Mo     -10.53087000      -3.29232000       7.68559000
Mo      -0.18417000       7.12084000      11.29935000
Mo       0.18417000      -7.12084000     -11.29935000
Mo      -0.01813000       6.91641000     -11.42710000
Mo       0.01813000      -6.91641000      11.42710000
Mo       6.86384000      11.47642000      -0.05308000
Mo       7.19169000     -11.27294000       0.15395000
Mo      -7.19169000      11.27294000      -0.15395000
Mo      -6.86384000     -11.47642000       0.05308000
Mo      11.31976000       0.22789000       7.11584000
Mo     -11.31976000      -0.22789000      -7.11584000
Mo      11.42255000       0.10134000      -6.95264000
Mo     -11.42255000      -0.10134000       6.95264000
Mo       4.32478000      12.58877000       1.90412000
Mo      -4.32478000     -12.58877000      -1.90412000
Mo       4.35379000      12.55305000      -2.06687000
Mo       4.71424000     -12.45792000      -1.83926000
Mo      -4.68523000      12.42220000      -2.13173000
Mo       4.68523000     -12.42220000       2.13173000
Mo      -4.71424000      12.45792000       1.83926000
Mo      -4.35379000     -12.55305000       2.06687000
Mo      -0.20794000       9.79489000       9.21727000
Mo       0.20794000      -9.79489000      -9.21727000
Mo      -0.07196000       9.62747000      -9.39402000
Mo       0.07196000      -9.62747000       9.39402000
Mo       3.21127000      10.37020000       7.58820000
Mo      -3.21127000     -10.37020000      -7.58820000
Mo       3.32315000      10.23245000      -7.72579000
Mo       3.61864000     -10.27133000      -7.53919000
Mo      -3.50676000      10.13358000      -7.77480000
Mo       3.50676000     -10.13358000       7.77480000
Mo      -3.61864000      10.27133000       7.53919000
Mo      -3.32315000     -10.23245000       7.72579000
Mo       4.52449000      11.18186000       5.45833000
Mo      -4.52449000     -11.18186000      -5.45833000
Mo       4.60523000      11.08246000      -5.59189000
Mo       4.92412000     -11.04507000      -5.39052000
Mo      -4.84338000      10.94567000      -5.65970000
Mo       4.84338000     -10.94567000       5.65970000
Mo      -4.92412000      11.04507000       5.39052000
Mo      -4.60523000     -11.08246000       5.59189000
Mo      13.14926000       0.20231000       1.40735000
Mo     -13.14926000      -0.20231000      -1.40735000
Mo      13.16844000       0.17869000      -1.21849000
Mo     -13.16844000      -0.17869000       1.21849000
Mo       1.12680000      13.17165000      -0.11025000
Mo       1.50590000     -13.13353000       0.12914000
Mo      -1.50590000      13.13353000      -0.12914000
Mo      -1.12680000     -13.17165000       0.11025000
O      10.78497000      10.68654000      -0.01733000
O      11.08842000     -10.36988000       0.17429000
O     -11.08842000      10.36988000      -0.17429000
O     -10.78497000     -10.68654000       0.01733000
O      11.78590000       3.84019000       8.77776000
O     -11.78590000      -3.84019000      -8.77776000
O      11.91340000       3.68322000      -8.67228000
O      12.01685000      -3.49560000      -8.60695000
O     -11.88936000       3.33863000      -8.84309000
O      11.88936000      -3.33863000       8.84309000
O     -12.01685000       3.49560000       8.60695000
O     -11.91340000      -3.68322000       8.67228000
O       3.68305000      11.50631000      -8.83752000
O       4.01539000     -11.55430000      -8.62766000
O      -3.88738000      11.39671000      -8.89185000
O       3.88738000     -11.39671000       8.89185000
O      -4.01539000      11.55430000       8.62766000
C       5.22815000      -3.18278000      -8.23609000
C      -5.10684000       3.03343000      -8.36752000
O      -3.68305000     -11.50631000       8.83752000
O       1.84310000     -14.83030000       0.14687000
O      -8.99685000      -4.64227000      -3.93199000
C       5.10684000      -3.03343000       8.36752000
O       5.18147000      12.66944000       6.04192000
O       2.62227000      11.30761000       5.95672000
O      -2.62227000     -11.30761000      -5.95672000
O       2.71050000      11.19897000      -6.12021000
O       3.03368000     -11.22573000      -5.91613000
O      -2.94544000      11.11709000      -6.16080000
O       2.94544000     -11.11709000       6.16080000
O      -3.03368000      11.22573000       5.91613000
O      -2.71050000     -11.19897000       6.12021000
O      -0.19709000      12.95258000       1.33458000
O       0.19709000     -12.95258000      -1.33458000
O      -0.17587000      12.92646000      -1.57009000
O       0.17587000     -12.92646000       1.57009000
O       4.98926000       9.89863000       6.88079000
O      -4.98926000      -9.89863000      -6.88079000
O       5.09056000       9.77391000      -6.98410000
O       5.37191000      -9.74863000      -6.80644000
O      -5.27061000       9.62392000      -7.05845000
O       5.27061000      -9.62392000       7.05845000
O      -5.37191000       9.74863000       6.80644000
O      -5.09056000      -9.77391000       6.98410000
O      11.09064000       6.20803000       2.85121000
O     -11.09064000      -6.20803000      -2.85121000
O      11.13193000       6.15720000      -2.80007000
O      11.30546000      -5.88381000      -2.69049000
O     -11.26417000       5.83298000      -2.96079000
O      11.26417000      -5.83298000       2.96079000
O     -11.30546000       5.88381000       2.69049000
O     -11.13193000      -6.15720000       2.80007000
O       9.60482000       7.10865000       5.18015000
O      -9.60482000      -7.10865000      -5.18015000
O       9.68041000       7.01558000      -5.16630000
O       9.87990000      -6.82657000      -5.04033000
O      -9.80430000       6.73350000      -5.30612000
O       9.80430000      -6.73350000       5.30612000
O      -9.87990000       6.82657000       5.04033000
O      -9.68041000      -7.01558000       5.16630000
O       0.97821000       8.27190000      10.08356000
O      -0.97821000      -8.27190000     -10.08356000
O       1.12652000       8.08931000     -10.21536000
O       1.36182000      -8.23802000     -10.06677000
O      -1.21351000       8.05543000     -10.23215000
O       1.21351000      -8.05543000      10.23215000
O      -1.36182000       8.23802000      10.06677000
O      -1.12652000      -8.08931000      10.21536000
O       6.10627000      11.44991000       1.84048000
O      -6.10627000     -11.44991000      -1.84048000
O       6.13402000      11.41575000      -1.95673000
O       6.46092000     -11.26797000      -1.75029000
O      -6.43318000      11.23382000      -2.04691000
O       6.43318000     -11.23382000       2.04691000
O      -6.46092000      11.26797000       1.75029000
O      -6.13402000     -11.41575000       1.95673000
O      12.01297000       0.22043000       5.19791000
O     -12.01297000      -0.22043000      -5.19791000
O      12.08766000       0.12847000      -5.02496000
O     -12.08766000      -0.12847000       5.02496000
O      12.64899000       1.59061000       2.89964000
O     -12.64899000      -1.59061000      -2.89964000
O      12.69022000       1.53986000      -2.74266000
O      12.73004000      -1.22320000      -2.71752000
O     -12.68881000       1.17245000      -2.92478000
O      12.68881000      -1.17245000       2.92478000
O     -12.73004000       1.22320000       2.71752000
O     -12.69022000      -1.53986000       2.74266000
O       6.26608000      10.58930000       4.44566000
O      -6.26608000     -10.58930000      -4.44566000
O       6.33176000      10.50844000      -4.54340000
O       6.63312000     -10.40256000      -4.35310000
O      -6.56744000      10.32170000      -4.63596000
O       6.56744000     -10.32170000       4.63596000
O      -6.63312000      10.40256000       4.35310000
O      -6.33176000     -10.50844000       4.54340000
O       3.44460000       8.85047000       9.01436000
O      -3.44460000      -8.85047000      -9.01436000
O       3.57710000       8.68734000      -9.12082000
O       3.82833000      -8.74518000      -8.96217000
O      -3.69583000       8.58205000      -9.17301000
O       3.69583000      -8.58205000       9.17301000
O      -3.82833000       8.74518000       8.96217000
O      -3.57710000      -8.68734000       9.12082000
O       6.78124000       5.37048000       9.76544000
O      -6.78124000      -5.37048000      -9.76544000
O       6.92390000       5.19484000      -9.76035000
O       7.07327000      -5.16991000      -9.66602000
O      -6.93061000       4.99427000      -9.85977000
O       6.93061000      -4.99427000       9.85977000
O      -7.07327000       5.16991000       9.66602000
O      -6.92390000      -5.19484000       9.76035000
O      12.92301000       1.64038000       0.07966000
O      12.96489000      -1.26560000       0.10611000
O     -12.96489000       1.26560000      -0.10611000
O     -12.92301000      -1.64038000      -0.07966000
O       5.90604000       3.02029000      11.23105000
O      -5.90604000      -3.02029000     -11.23105000
O       6.06990000       2.81856000     -11.19607000
O       6.15153000      -2.84574000     -11.14452000
O      -5.98767000       2.64400000     -11.28259000
O       5.98767000      -2.64400000      11.28259000
O      -6.15153000       2.84574000      11.14452000
O      -6.06990000      -2.81856000      11.19607000
O      -5.18147000     -12.66944000      -6.04192000
O       5.27085000      12.55939000      -6.19249000
C      -5.22815000       3.18278000       8.23609000
C      -5.13643000      -3.18172000       8.29401000
C      10.24080000       0.14825000       0.07349000
O       9.05394000       4.57197000      -3.88299000
O       5.63218000     -12.51289000      -5.96432000
O      -5.54279000      12.40284000      -6.27009000
O       5.54279000     -12.40284000       6.27009000
O      -5.63218000      12.51289000       5.96432000
O      -5.27085000     -12.55939000       6.19249000
C     -10.24080000      -0.14825000      -0.07349000
O      -0.20775000       8.03525000      12.73988000
O       0.20775000      -8.03525000     -12.73988000
O      -0.02053000       7.80475000     -12.88404000
O       0.02053000      -7.80475000      12.88404000
O       7.74324000      12.94011000      -0.05982000
O       8.11291000     -12.71056000       0.17361000
O      -8.11291000      12.71056000      -0.17361000
O      -7.74324000     -12.94011000       0.05982000
O      12.77000000       0.25699000       8.01681000
O     -12.77000000      -0.25699000      -8.01681000
O      12.88580000       0.11442000      -7.83270000
O     -12.88580000      -0.11442000       7.83270000
O       4.93516000      12.13132000      -0.07307000
O       5.28269000     -11.98340000       0.14639000
O      -5.28269000      11.98340000      -0.14639000
O      -4.93516000     -12.13132000       0.07307000
O       4.01667000      11.93113000       3.56550000
O      -4.01667000     -11.93113000      -3.56550000
O       4.06990000      11.86559000      -3.72047000
O       4.41109000     -11.80913000      -3.50502000
O      -4.35786000      11.74359000      -3.78095000
O       4.35786000     -11.74359000       3.78095000
O      -4.41109000      11.80913000       3.50502000
O      -4.06990000     -11.86559000       3.72047000
O       1.19182000      10.19166000       8.13186000
O      -1.19182000     -10.19166000      -8.13186000
O       1.31184000      10.04389000      -8.29559000
O       1.60288000     -10.15120000      -8.11181000
O      -1.48286000      10.00343000      -8.31565000
O       1.48286000     -10.00343000       8.31565000
O      -1.60288000      10.15120000       8.11181000
O      -1.31184000     -10.04389000       8.29559000
O       4.91416000      14.21451000       2.12170000
O      -4.91416000     -14.21451000      -2.12170000
O       4.94651000      14.17469000      -2.30502000
O       5.35350000     -14.06587000      -2.04802000
O      -5.32115000      14.02605000      -2.37870000
O       5.32115000     -14.02605000       2.37870000
O      -5.35350000      14.06587000       2.04802000
O      -4.94651000     -14.17469000       2.30502000
O      -0.23446000      11.01473000      10.45145000
O       0.23446000     -11.01473000     -10.45145000
O      -0.08028000      10.82492000     -10.65020000
O       0.08028000     -10.82492000      10.65020000
O       2.62611000      12.73905000       1.28803000
O      -2.62611000     -12.73905000      -1.28803000
O       2.64633000      12.71417000      -1.47846000
O       3.01197000     -12.65743000      -1.24757000
O      -2.99176000      12.63254000      -1.51892000
O       2.99176000     -12.63254000       1.51892000
O      -3.01197000      12.65743000       1.24757000
O      -2.64633000     -12.71417000       1.47846000
O      14.84563000       0.22969000       1.72968000
O     -14.84563000      -0.22969000      -1.72968000
O       8.27758000       6.46629000       2.76102000
O      14.86935000       0.20049000      -1.51644000
C      -2.06047000       6.19321000       4.85427000
H      -1.74451000       6.29358000       5.89323000
H      -1.72606000       5.31811000       4.29783000
H      -3.16449000       7.04035000       3.24315000
C      -2.83711000       7.12140000       4.28042000
C      -3.20366000       3.01243000       6.84731000
H      -2.66873000       3.64851000       7.55343000
H      -2.67022000       2.66435000       5.96327000
H      -5.03399000       2.03579000       6.36953000
C      -4.48075000       2.67080000       7.06261000
C      -6.23114000       4.85318000       1.85796000
H      -6.32079000       5.89065000       1.53394000
H      -5.35154000       4.29140000       1.54500000
H      -7.10739000       3.25191000       2.95353000
C      -7.17750000       4.28753000       2.61852000
C       1.81048000       6.24925000       4.88205000
H       1.47687000       6.34022000       5.91635000
H       1.50956000       5.36495000       4.32105000
H       2.91252000       7.12833000       3.28676000
C       2.56808000       7.19965000       4.31920000
C      -1.98852000       6.10462000      -4.99447000
H      -1.65739000       6.18633000      -6.03035000
H      -1.66238000       5.23971000      -4.41756000
H      -3.11584000       6.98046000      -3.41516000
C      -2.77334000       7.04288000      -4.44882000
C       1.88244000       6.16066000      -4.96669000
H       1.56399000       6.23296000      -6.00723000
H       1.57323000       5.28655000      -4.39434000
H       2.96116000       7.06844000      -3.37155000
C       2.63186000       7.12113000      -4.41003000
C      -1.88244000      -6.16066000       4.96669000
H      -1.56399000      -6.23296000       6.00723000
H      -1.57323000      -5.28655000       4.39434000
H      -2.96116000      -7.06844000       3.37155000
C      -2.63186000      -7.12113000       4.41003000
C       1.98852000      -6.10462000       4.99447000
H       1.65739000      -6.18633000       6.03035000
H       1.66238000      -5.23971000       4.41756000
H       3.11584000      -6.98046000       3.41516000
C       2.77334000      -7.04288000       4.44882000
C      -1.81048000      -6.24925000      -4.88205000
H      -1.47687000      -6.34022000      -5.91635000
H      -1.50956000      -5.36495000      -4.32105000
H      -2.91252000      -7.12833000      -3.28676000
C      -2.56808000      -7.19965000      -4.31920000
C       2.06047000      -6.19321000      -4.85427000
H       1.74451000      -6.29358000      -5.89323000
H       1.72606000      -5.31811000      -4.29783000
H       3.16449000      -7.04035000      -3.24315000
C       2.83711000      -7.12140000      -4.28042000
C       3.01655000       3.10248000       6.89195000
H       2.45334000       3.72266000       7.59019000
H       2.50614000       2.73929000       6.00041000
H       4.88104000       2.17932000       6.44068000
C       4.29976000       2.79791000       7.12562000
C      -3.10288000       2.88835000      -6.94646000
H      -2.55760000       3.51169000      -7.65603000
H      -2.58246000       2.55630000      -6.04861000
H      -4.94012000       1.92022000      -6.47799000
C      -4.37673000       2.54273000      -7.17422000
C       3.11733000       2.97840000      -6.90183000
H       2.56447000       3.58584000      -7.61927000
H       2.59390000       2.63124000      -6.01146000
H       4.97491000       2.06376000      -6.40684000
C       4.40378000       2.66985000      -7.11121000
C      -3.11733000      -2.97840000       6.90183000
H      -2.56447000      -3.58584000       7.61927000
H      -2.59390000      -2.63124000       6.01146000
H      -4.97491000      -2.06376000       6.40684000
C      -4.40378000      -2.66985000       7.11121000
C       3.10288000      -2.88835000       6.94646000
H       2.55760000      -3.51169000       7.65603000
H       2.58246000      -2.55630000       6.04861000
H       4.94012000      -1.92022000       6.47799000
C       4.37673000      -2.54273000       7.17422000
C      -3.01655000      -3.10248000      -6.89195000
H      -2.45334000      -3.72266000      -7.59019000
H      -2.50614000      -2.73929000      -6.00041000
H      -4.88104000      -2.17932000      -6.44068000
C      -4.29976000      -2.79791000      -7.12562000
C       3.20366000      -3.01243000      -6.84731000
H       2.66873000      -3.64851000      -7.55343000
H       2.67022000      -2.66435000      -5.96327000
H       5.03399000      -2.03579000      -6.36953000
C       4.48075000      -2.67080000      -7.06261000
C       6.06075000       5.03113000       1.94617000
H       6.12497000       6.07083000       1.62325000
H       5.20236000       4.44419000       1.62073000
H       6.96717000       3.45567000       3.05453000
C       7.01207000       4.49295000       2.72035000
C      -6.20269000       4.81816000      -2.03580000
H      -6.29693000       5.86128000      -1.73184000
H      -5.32783000       4.26221000      -1.69996000
H      -7.06305000       3.19733000      -3.11508000
C      -7.13791000       4.23879000      -2.79981000
C       6.08920000       4.99611000      -1.94759000
H       6.14883000       6.04145000      -1.64253000
H       5.22607000       4.41500000      -1.62423000
H       7.01151000       3.40108000      -3.01408000
C       7.05166000       4.44421000      -2.69799000
C      -6.08920000      -4.99611000       1.94759000
H      -6.14883000      -6.04145000       1.64253000
H      -5.22607000      -4.41500000       1.62423000
H      -7.01151000      -3.40108000       3.01408000
C      -7.05166000      -4.44421000       2.69799000
C       6.20269000      -4.81816000       2.03580000
H       6.29693000      -5.86128000       1.73184000
H       5.32783000      -4.26221000       1.69996000
H       7.06305000      -3.19733000       3.11508000
C       7.13791000      -4.23879000       2.79981000
C      -6.06075000      -5.03113000      -1.94617000
H      -6.12497000      -6.07083000      -1.62325000
H      -5.20236000      -4.44419000      -1.62073000
H      -6.96717000      -3.45567000      -3.05453000
C      -7.01207000      -4.49295000      -2.72035000
C       6.23114000      -4.85318000      -1.85796000
H       6.32079000      -5.89065000      -1.53394000
H       5.35154000      -4.29140000      -1.54500000
H       7.10739000      -3.25191000      -2.95353000
C       7.17750000      -4.28753000      -2.61852000
C       0.98201000       8.05541000       0.02487000
H       1.94502000       8.55868000       0.10075000
H       0.96841000       6.96594000       0.03319000
H      -1.12364000       8.27726000      -0.15249000
C      -0.15053000       8.75960000      -0.07560000
C      -0.98201000      -8.05541000      -0.02487000
H      -1.94502000      -8.55868000      -0.10075000
H      -0.96841000      -6.96594000      -0.03319000
H       1.12364000      -8.27726000       0.15249000
C       0.15053000      -8.75960000       0.07560000
C       0.03569000       1.02066000      -8.08474000
H       0.02887000       1.99114000      -8.58012000
H       0.02939000       0.99895000      -6.99538000
H       0.05842000      -1.09165000      -8.32344000
C       0.05137000      -0.11114000      -8.79806000
C      -0.03569000      -1.02066000       8.08474000
H      -0.02887000      -1.99114000       8.58012000
H      -0.02939000      -0.99895000       6.99538000
H      -0.05842000       1.09165000       8.32344000
C      -0.05137000       0.11114000       8.79806000
C      -8.02684000      -0.13126000      -1.23954000
H      -8.50503000      -0.16196000      -2.21920000
H      -6.93814000      -0.11392000      -1.19957000
H      -8.30159000      -0.08477000       0.87095000
C      -8.75952000      -0.11540000      -0.11847000
C       8.02684000       0.13126000       1.23954000
H       8.50503000       0.16196000       2.21920000
H       6.93814000       0.11392000       1.19957000
H       8.30159000       0.08477000      -0.87095000
C       8.75952000       0.11540000       0.11847000
END


CHARGE -42 0

relativistic scalar ZORA

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 150
END

endinput
