CuCO1freq Potential Electrostatic potential from Total SCF Density 3 -12.214570 -1.421269 -16.378969 80 0.253864 0.000000 0.000000 80 0.000000 0.253864 0.000000 80 0.000000 0.000000 0.253864 29 19.000000 -2.186927 8.606374 -6.351326 6 6.000000 -0.919055 6.385434 -3.674236 8 8.000000 0.431377 4.625016 -3.399009 -2.86398E-05 -1.87253E-05 -8.23551E-06 2.84304E-06 1.45227E-05 2.68139E-05 3.97256E-05 5.32641E-05 6.74338E-05 8.22361E-05 9.76696E-05 1.13729E-04 1.30408E-04 1.47692E-04 1.65567E-04 1.84012E-04 2.03003E-04 2.22510E-04 2.42499E-04 2.62931E-04 2.83763E-04 3.04944E-04 3.26422E-04 3.48138E-04 3.70028E-04 3.92025E-04 4.14058E-04 4.36050E-04 4.57923E-04 4.79597E-04 5.00988E-04 5.22011E-04 5.42582E-04 5.62615E-04 5.82026E-04 6.00734E-04 6.18657E-04 6.35721E-04 6.51852E-04 6.66984E-04 6.81055E-04 6.94010E-04 7.05802E-04 7.16389E-04 7.25738E-04 7.33825E-04 7.40634E-04 7.46156E-04 7.50393E-04 7.53351E-04 7.55049E-04 7.55511E-04 7.54767E-04 7.52856E-04 7.49822E-04 7.45714E-04 7.40587E-04 7.34499E-04 7.27512E-04 7.19689E-04 7.11097E-04 7.01801E-04 6.91871E-04 6.81373E-04 6.70373E-04 6.58937E-04 6.47128E-04 6.35007E-04 6.22633E-04 6.10060E-04 5.97343E-04 5.84531E-04 5.71669E-04 5.58800E-04 5.45963E-04 5.33194E-04 5.20526E-04 5.07987E-04 4.95603E-04 4.83396E-04 -2.34559E-05 -1.31203E-05 -2.17743E-06 9.38796E-06 2.15898E-05 3.44401E-05 4.79494E-05 6.21255E-05 7.69740E-05 9.24975E-05 1.08696E-04 1.25565E-04 1.43098E-04 1.61282E-04 1.80103E-04 1.99539E-04 2.19566E-04 2.40153E-04 2.61265E-04 2.82861E-04 3.04896E-04 3.27317E-04 3.50067E-04 3.73085E-04 3.96303E-04 4.19649E-04 4.43047E-04 4.66414E-04 4.89668E-04 5.12720E-04 5.35481E-04 5.57860E-04 5.79764E-04 6.01102E-04 6.21782E-04 6.41715E-04 6.60814E-04 6.78996E-04 6.96183E-04 7.12301E-04 7.27283E-04 7.41070E-04 7.53608E-04 7.64854E-04 7.74771E-04 7.83333E-04 7.90521E-04 7.96326E-04 8.00750E-04 8.03801E-04 8.05498E-04 8.05866E-04 8.04940E-04 8.02761E-04 7.99378E-04 7.94844E-04 7.89218E-04 7.82563E-04 7.74946E-04 7.66437E-04 7.57107E-04 7.47028E-04 7.36274E-04 7.24916E-04 7.13027E-04 7.00678E-04 6.87935E-04 6.74865E-04 6.61531E-04 6.47993E-04 6.34307E-04 6.20526E-04 6.06699E-04 5.92872E-04 5.79086E-04 5.65379E-04 5.51786E-04 5.38338E-04 5.25061E-04 5.11979E-04 -1.83056E-05 -7.54647E-06 3.85303E-06 1.59099E-05 2.86399E-05 4.20567E-05 5.61724E-05 7.09966E-05 8.65362E-05 1.02795E-04 1.19775E-04 1.37472E-04 1.55880E-04 1.74989E-04 1.94781E-04 2.15238E-04 2.36332E-04 2.58035E-04 2.80308E-04 3.03109E-04 3.26391E-04 3.50098E-04 3.74171E-04 3.98544E-04 4.23145E-04 4.47898E-04 4.72719E-04 4.97524E-04 5.22220E-04 5.46715E-04 5.70911E-04 5.94711E-04 6.18014E-04 6.40721E-04 6.62733E-04 6.83952E-04 7.04286E-04 7.23644E-04 7.41939E-04 7.59094E-04 7.75034E-04 7.89694E-04 8.03016E-04 8.14954E-04 8.25466E-04 8.34524E-04 8.42108E-04 8.48209E-04 8.52826E-04 8.55971E-04 8.57662E-04 8.57929E-04 8.56807E-04 8.54344E-04 8.50590E-04 8.45603E-04 8.39449E-04 8.32196E-04 8.23915E-04 8.14683E-04 8.04576E-04 7.93673E-04 7.82053E-04 7.69793E-04 7.56972E-04 7.43665E-04 7.29945E-04 7.15883E-04 7.01547E-04 6.87000E-04 6.72302E-04 6.57511E-04 6.42679E-04 6.27855E-04 6.13081E-04 5.98400E-04 5.83847E-04 5.69454E-04 5.55251E-04 5.41262E-04 -1.32027E-05 -2.01861E-06 9.83988E-06 2.23917E-05 3.56543E-05 4.96436E-05 6.43732E-05 7.98545E-05 9.60962E-05 1.13104E-04 1.30880E-04 1.49422E-04 1.68726E-04 1.88780E-04 2.09569E-04 2.31074E-04 2.53268E-04 2.76119E-04 2.99590E-04 3.23637E-04 3.48208E-04 3.73248E-04 3.98693E-04 4.24473E-04 4.50512E-04 4.76728E-04 5.03033E-04 5.29336E-04 5.55539E-04 5.81541E-04 6.07238E-04 6.32524E-04 6.57291E-04 6.81432E-04 7.04840E-04 7.27409E-04 7.49038E-04 7.69628E-04 7.89087E-04 8.07329E-04 8.24273E-04 8.39849E-04 8.53994E-04 8.66655E-04 8.77790E-04 8.87367E-04 8.95365E-04 9.01771E-04 9.06589E-04 9.09828E-04 9.11510E-04 9.11665E-04 9.10335E-04 9.07568E-04 9.03420E-04 8.97956E-04 8.91244E-04 8.83360E-04 8.74380E-04 8.64388E-04 8.53465E-04 8.41697E-04 8.29169E-04 8.15966E-04 8.02169E-04 7.87861E-04 7.73121E-04 7.58024E-04 7.42642E-04 7.27044E-04 7.11294E-04 6.95453E-04 6.79576E-04 6.63715E-04 6.47917E-04 6.32224E-04 6.16676E-04 6.01305E-04 5.86143E-04 5.71216E-04 -8.16075E-06 3.44848E-06 1.57670E-05 2.88157E-05 4.26143E-05 5.71804E-05 7.25299E-05 8.86758E-05 1.05629E-04 1.23396E-04 1.41982E-04 1.61385E-04 1.81602E-04 2.02623E-04 2.24433E-04 2.47012E-04 2.70334E-04 2.94366E-04 3.19071E-04 3.44401E-04 3.70305E-04 3.96723E-04 4.23587E-04 4.50825E-04 4.78356E-04 5.06093E-04 5.33942E-04 5.61805E-04 5.89577E-04 6.17151E-04 6.44414E-04 6.71252E-04 6.97549E-04 7.23190E-04 7.48058E-04 7.72039E-04 7.95024E-04 8.16905E-04 8.37582E-04 8.56962E-04 8.74958E-04 8.91492E-04 9.06497E-04 9.19916E-04 9.31702E-04 9.41820E-04 9.50247E-04 9.56972E-04 9.61995E-04 9.65329E-04 9.66996E-04 9.67031E-04 9.65477E-04 9.62388E-04 9.57824E-04 9.51855E-04 9.44557E-04 9.36008E-04 9.26295E-04 9.15504E-04 9.03727E-04 8.91054E-04 8.77577E-04 8.63386E-04 8.48572E-04 8.33220E-04 8.17417E-04 8.01241E-04 7.84772E-04 7.68082E-04 7.51239E-04 7.34308E-04 7.17347E-04 7.00413E-04 6.83554E-04 6.66815E-04 6.50237E-04 6.33856E-04 6.17704E-04 6.01808E-04 -3.19312E-06 8.84002E-06 2.16182E-05 3.51644E-05 4.95005E-05 6.46464E-05 8.06199E-05 9.74364E-05 1.15108E-04 1.33645E-04 1.53052E-04 1.73330E-04 1.94476E-04 2.16482E-04 2.39334E-04 2.63012E-04 2.87489E-04 3.12734E-04 3.38705E-04 3.65357E-04 3.92634E-04 4.20473E-04 4.48805E-04 4.77551E-04 5.06627E-04 5.35941E-04 5.65392E-04 5.94876E-04 6.24280E-04 6.53490E-04 6.82384E-04 7.10841E-04 7.38734E-04 7.65940E-04 7.92333E-04 8.17789E-04 8.42191E-04 8.65421E-04 8.87372E-04 9.07942E-04 9.27036E-04 9.44572E-04 9.60475E-04 9.74684E-04 9.87148E-04 9.97829E-04 1.00670E-03 1.01376E-03 1.01899E-03 1.02242E-03 1.02407E-03 1.02397E-03 1.02218E-03 1.01875E-03 1.01374E-03 1.00724E-03 9.99329E-04 9.90084E-04 9.79601E-04 9.67975E-04 9.55304E-04 9.41686E-04 9.27218E-04 9.11999E-04 8.96125E-04 8.79688E-04 8.62778E-04 8.45484E-04 8.27886E-04 8.10063E-04 7.92088E-04 7.74029E-04 7.55948E-04 7.37904E-04 7.19949E-04 7.02130E-04 6.84491E-04 6.67068E-04 6.49895E-04 6.33002E-04 1.68691E-06 1.41414E-05 2.73774E-05 4.14203E-05 5.62940E-05 7.20208E-05 8.86209E-05 1.06112E-04 1.24508E-04 1.43822E-04 1.64059E-04 1.85223E-04 2.07313E-04 2.30321E-04 2.54234E-04 2.79033E-04 3.04692E-04 3.31177E-04 3.58448E-04 3.86456E-04 4.15144E-04 4.44447E-04 4.74291E-04 5.04595E-04 5.35269E-04 5.66214E-04 5.97325E-04 6.28489E-04 6.59588E-04 6.90497E-04 7.21088E-04 7.51229E-04 7.80785E-04 8.09621E-04 8.37603E-04 8.64598E-04 8.90477E-04 9.15115E-04 9.38395E-04 9.60205E-04 9.80446E-04 9.99026E-04 1.01587E-03 1.03090E-03 1.04407E-03 1.05533E-03 1.06467E-03 1.07206E-03 1.07751E-03 1.08103E-03 1.08266E-03 1.08242E-03 1.08037E-03 1.07658E-03 1.07112E-03 1.06406E-03 1.05549E-03 1.04552E-03 1.03423E-03 1.02173E-03 1.00813E-03 9.93527E-04 9.78028E-04 9.61740E-04 9.44764E-04 9.27200E-04 9.09145E-04 8.90691E-04 8.71925E-04 8.52931E-04 8.33785E-04 8.14561E-04 7.95325E-04 7.76136E-04 7.57052E-04 7.38122E-04 7.19390E-04 7.00896E-04 6.82675E-04 6.64757E-04 6.46653E-06 1.93385E-05 3.30290E-05 4.75659E-05 6.29755E-05 7.92827E-05 9.65100E-05 1.14677E-04 1.33802E-04 1.53897E-04 1.74972E-04 1.97033E-04 2.20078E-04 2.44102E-04 2.69094E-04 2.95034E-04 3.21897E-04 3.49649E-04 3.78249E-04 4.07646E-04 4.37782E-04 4.68589E-04 4.99990E-04 5.31899E-04 5.64220E-04 5.96849E-04 6.29676E-04 6.62580E-04 6.95434E-04 7.28106E-04 7.60457E-04 7.92347E-04 8.23630E-04 8.54162E-04 8.83798E-04 9.12394E-04 9.39811E-04 9.65915E-04 9.90578E-04 1.01368E-03 1.03511E-03 1.05478E-03 1.07259E-03 1.08848E-03 1.10238E-03 1.11425E-03 1.12407E-03 1.13181E-03 1.13748E-03 1.14110E-03 1.14269E-03 1.14230E-03 1.13998E-03 1.13581E-03 1.12986E-03 1.12221E-03 1.11297E-03 1.10223E-03 1.09011E-03 1.07670E-03 1.06213E-03 1.04650E-03 1.02993E-03 1.01253E-03 9.94417E-04 9.75687E-04 9.56446E-04 9.36794E-04 9.16823E-04 8.96620E-04 8.76269E-04 8.55845E-04 8.35419E-04 8.15054E-04 7.94809E-04 7.74737E-04 7.54884E-04 7.35292E-04 7.15996E-04 6.97028E-04 1.11335E-05 2.44175E-05 3.85577E-05 5.35844E-05 6.95266E-05 8.64117E-05 1.04265E-04 1.23109E-04 1.42963E-04 1.63843E-04 1.85761E-04 2.08724E-04 2.32734E-04 2.57787E-04 2.83871E-04 3.10970E-04 3.39057E-04 3.68100E-04 3.98056E-04 4.28874E-04 4.60492E-04 4.92841E-04 5.25839E-04 5.59397E-04 5.93413E-04 6.27779E-04 6.62376E-04 6.97077E-04 7.31746E-04 7.66241E-04 8.00416E-04 8.34119E-04 8.67194E-04 8.99486E-04 9.30838E-04 9.61097E-04 9.90112E-04 1.01774E-03 1.04384E-03 1.06829E-03 1.09096E-03 1.11175E-03 1.13058E-03 1.14735E-03 1.16201E-03 1.17451E-03 1.18481E-03 1.19291E-03 1.19881E-03 1.20251E-03 1.20407E-03 1.20351E-03 1.20091E-03 1.19634E-03 1.18988E-03 1.18162E-03 1.17167E-03 1.16014E-03 1.14714E-03 1.13279E-03 1.11721E-03 1.10052E-03 1.08284E-03 1.06430E-03 1.04500E-03 1.02507E-03 1.00461E-03 9.83718E-04 9.62506E-04 9.41061E-04 9.19470E-04 8.97814E-04 8.76166E-04 8.54595E-04 8.33161E-04 8.11919E-04 7.90919E-04 7.70202E-04 7.49808E-04 7.29767E-04 1.56761E-05 2.93655E-05 4.39489E-05 5.94595E-05 7.59291E-05 9.33877E-05 1.11863E-04 1.31382E-04 1.51964E-04 1.73630E-04 1.96394E-04 2.20264E-04 2.45245E-04 2.71335E-04 2.98524E-04 3.26796E-04 3.56126E-04 3.86480E-04 4.17816E-04 4.50082E-04 4.83214E-04 5.17139E-04 5.51773E-04 5.87022E-04 6.22780E-04 6.58932E-04 6.95351E-04 7.31903E-04 7.68444E-04 8.04823E-04 8.40883E-04 8.76460E-04 9.11390E-04 9.45504E-04 9.78635E-04 1.01062E-03 1.04129E-03 1.07050E-03 1.09809E-03 1.12393E-03 1.14788E-03 1.16985E-03 1.18972E-03 1.20741E-03 1.22285E-03 1.23599E-03 1.24681E-03 1.25527E-03 1.26139E-03 1.26519E-03 1.26670E-03 1.26597E-03 1.26307E-03 1.25807E-03 1.25107E-03 1.24218E-03 1.23149E-03 1.21914E-03 1.20523E-03 1.18990E-03 1.17328E-03 1.15549E-03 1.13667E-03 1.11694E-03 1.09643E-03 1.07526E-03 1.05354E-03 1.03138E-03 1.00889E-03 9.86174E-04 9.63312E-04 9.40394E-04 9.17497E-04 8.94691E-04 8.72042E-04 8.49606E-04 8.27434E-04 8.05571E-04 7.84055E-04 7.62922E-04 2.00839E-05 3.41701E-05 4.91888E-05 6.51758E-05 8.21656E-05 1.00192E-04 1.19284E-04 1.39472E-04 1.60780E-04 1.83230E-04 2.06839E-04 2.31618E-04 2.57575E-04 2.84708E-04 3.13010E-04 3.42467E-04 3.73053E-04 4.04737E-04 4.37474E-04 4.71212E-04 5.05885E-04 5.41419E-04 5.77724E-04 6.14704E-04 6.52246E-04 6.90229E-04 7.28520E-04 7.66976E-04 8.05445E-04 8.43764E-04 8.81767E-04 9.19280E-04 9.56125E-04 9.92123E-04 1.02709E-03 1.06086E-03 1.09325E-03 1.12409E-03 1.15322E-03 1.18050E-03 1.20579E-03 1.22896E-03 1.24991E-03 1.26854E-03 1.28479E-03 1.29860E-03 1.30994E-03 1.31878E-03 1.32513E-03 1.32901E-03 1.33046E-03 1.32955E-03 1.32633E-03 1.32089E-03 1.31334E-03 1.30378E-03 1.29233E-03 1.27912E-03 1.26427E-03 1.24793E-03 1.23023E-03 1.21131E-03 1.19131E-03 1.17037E-03 1.14860E-03 1.12616E-03 1.10315E-03 1.07969E-03 1.05590E-03 1.03188E-03 1.00772E-03 9.83508E-04 9.59335E-04 9.35271E-04 9.11383E-04 8.87730E-04 8.64365E-04 8.41335E-04 8.18680E-04 7.96436E-04 2.43470E-05 3.88205E-05 5.42648E-05 7.07188E-05 8.82201E-05 1.06805E-04 1.26507E-04 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