Cu4CO0A FOpt RB3LYP LANL2DZ Number of atoms I 6 Charge I 0 Multiplicity I 1 Number of electrons I 90 Number of alpha electrons I 45 Number of beta electrons I 45 Number of basis functions I 106 Number of independant functions I 106 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Number of symbols in /Mol/ I 0 Info1-9 I N= 9 17 15 1000 0 0 100 2 18 -501 Num ILSW I 100 ILSW I N= 100 0 0 0 0 2 0 0 0 0 0 402 200000 0 0 -1 0 0 0 0 800000 0 0 1 0 1 1 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 720000 810000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 42 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 102 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.442766574868994E+00 SCF Energy R -8.979774236924355E+02 Total Energy R -8.979774236924355E+02 RMS Force R 2.354672397857342E-02 RMS Density R 5.968657120577380E-09 Atomic numbers I N= 6 29 29 29 29 6 8 Nuclear charges R N= 6 1.90000000E+01 1.90000000E+01 1.90000000E+01 1.90000000E+01 6.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 18 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 5.72863847E-01 1.26899817E+00 3.48648584E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 Atom Types C N= 6 Int Atom Types I N= 6 0 0 0 0 0 0 Force Field I 0 MM charges R N= 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 6 63 63 63 63 12 16 Real atomic weights R N= 6 6.29295992E+01 6.29295992E+01 6.29295992E+01 6.29295992E+01 1.20000000E+01 1.59949146E+01 Atom residue info I N= 6 0 0 0 0 0 0 Atom fragment info I N= 6 0 0 0 0 0 0 Atom residue num I N= 6 0 0 0 0 0 0 Nuclear spins I N= 6 3 3 3 3 0 0 Nuclear ZEff R N= 6 -1.76900000E+01 -1.76900000E+01 -1.76900000E+01 -1.76900000E+01 -3.60000000E+00 -5.60000000E+00 Nuclear QMom R N= 6 -2.20000000E+01 -2.20000000E+01 -2.20000000E+01 -2.20000000E+01 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 6 2.22330000E+00 2.22330000E+00 2.22330000E+00 2.22330000E+00 0.00000000E+00 0.00000000E+00 MicOpt I N= 6 -1 -1 -1 -1 -1 -1 Constraint Structure R N= 18 -4.30942785E+00 1.54527252E+00 1.38752763E+00 -1.24054096E+00 4.72227443E+00 3.12555789E+00 2.30386340E+00 2.03011956E+00 9.73789105E-01 -1.46685078E+00 -1.80201827E+00 -6.54960181E-02 2.16108892E+00 -1.43524889E+00 -1.17078739E+00 3.88766932E+00 -2.35812121E+00 -2.29735329E+00 ONIOM Charges I N= 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Atom Layers I N= 6 1 1 1 1 1 1 Atom Modifiers I N= 6 0 0 0 0 0 0 Atom Modified Types C N= 6 Int Atom Modified Types I N= 6 0 0 0 0 0 0 Link Atoms I N= 6 0 0 0 0 0 0 Atom Modified MM Charges R N= 6 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 24 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MxBond I 3 NBond I N= 6 2 2 2 2 3 1 IBond I N= 18 2 4 0 1 3 0 2 5 0 1 5 0 3 4 6 5 0 0 RBond R N= 18 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 Shell types I N= 42 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 1 -2 -2 0 0 0 1 1 0 0 0 1 1 Number of primitives per shell I N= 42 3 4 1 3 1 1 4 1 3 4 1 3 1 1 4 1 3 4 1 3 1 1 4 1 3 4 1 3 1 1 4 1 7 2 1 4 1 7 2 1 4 1 Shell to atom map I N= 42 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 Primitive exponents R N= 102 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 8.17600000E+00 2.56800000E+00 9.58700000E-01 1.15300000E-01 3.96000000E-02 2.56300000E+01 3.16600000E+00 1.02300000E+00 8.60000000E-02 2.40000000E-02 4.13400000E+01 1.14200000E+01 3.83900000E+00 1.23000000E+00 3.10200000E-01 4.23300000E+03 6.34900000E+02 1.46100000E+02 4.25000000E+01 1.41900000E+01 5.14800000E+00 1.96700000E+00 5.14800000E+00 4.96200000E-01 1.53300000E-01 1.81600000E+01 3.98600000E+00 1.14300000E+00 3.59400000E-01 1.14600000E-01 7.81700000E+03 1.17600000E+03 2.73200000E+02 8.11700000E+01 2.71800000E+01 9.53200000E+00 3.41400000E+00 9.53200000E+00 9.39800000E-01 2.84600000E-01 3.51800000E+01 7.90400000E+00 2.30500000E+00 7.17100000E-01 2.13700000E-01 Contraction coefficients R N= 102 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 -4.21025989E-01 7.38592381E-01 5.52569186E-01 1.78766454E-01 -3.59227208E-01 -4.70482380E-01 1.08074072E+00 1.00000000E+00 -4.89173002E-02 6.27285402E-01 4.71618802E-01 1.00000000E+00 1.00000000E+00 4.65424016E-02 2.22782408E-01 4.53905916E-01 5.31476918E-01 1.00000000E+00 1.21999969E-03 9.34199761E-03 4.54519884E-02 1.54656960E-01 3.58865908E-01 4.38631888E-01 1.45917963E-01 -1.68366956E-01 1.06009072E+00 1.00000000E+00 1.85389998E-02 1.15435999E-01 3.86187996E-01 6.40113993E-01 1.00000000E+00 1.17600033E-03 8.96800252E-03 4.28680121E-02 1.43930040E-01 3.55630100E-01 4.61248130E-01 1.40206039E-01 -1.54153074E-01 1.05691451E+00 1.00000000E+00 1.95800005E-02 1.24200003E-01 3.94714010E-01 6.27376016E-01 1.00000000E+00 Coordinates of each shell R N= 126 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -3.57293758E+00 1.52759715E+00 2.45613379E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 -7.79508542E-01 5.08402000E+00 2.69288829E+00 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 5.72863847E-01 1.26899817E+00 3.48648584E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 -2.38067915E+00 -2.16149626E+00 -1.26741308E-01 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 3.09453036E+00 -6.91129693E-01 -1.22828873E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 4.40153311E+00 -2.32571124E+00 -2.18940269E+00 Alpha Orbital Energies R N= 106 -1.92550704E+01 -1.03479337E+01 -4.34852571E+00 -4.29451598E+00 -4.27585757E+00 -4.27413900E+00 -2.86132323E+00 -2.85259380E+00 -2.85106966E+00 -2.80421506E+00 -2.80211202E+00 -2.79990117E+00 -2.78609684E+00 -2.78410966E+00 -2.78296319E+00 -2.78120778E+00 -2.78030747E+00 -2.77915791E+00 -1.14373320E+00 -5.82186302E-01 -4.71007334E-01 -4.56139798E-01 -4.53422591E-01 -3.37102821E-01 -3.32872200E-01 -3.28980463E-01 -3.23884822E-01 -3.17062913E-01 -2.97954485E-01 -2.91542001E-01 -2.87552464E-01 -2.82376050E-01 -2.77728630E-01 -2.65616477E-01 -2.56805707E-01 -2.56448752E-01 -2.55505216E-01 -2.54766933E-01 -2.53171862E-01 -2.51258776E-01 -2.48561988E-01 -2.48236514E-01 -2.47060273E-01 -2.41164139E-01 -1.83238543E-01 -9.45646137E-02 -9.01545970E-02 -7.40544958E-02 -6.14179639E-02 -3.73078527E-02 -8.19858575E-03 5.38494294E-03 6.11555848E-03 2.04072088E-02 2.95481281E-02 3.39918315E-02 4.43593280E-02 5.10728564E-02 5.15749617E-02 5.27349462E-02 7.01866227E-02 7.15075397E-02 8.40543853E-02 9.82373923E-02 1.01250148E-01 1.02184712E-01 1.29885591E-01 1.48133508E-01 1.57125818E-01 1.71038984E-01 2.24542277E-01 2.30880066E-01 2.36865795E-01 2.77394047E-01 3.49411268E-01 3.95331721E-01 4.86222995E-01 6.16398183E-01 6.53477415E-01 6.65504512E-01 6.70396663E-01 6.75271571E-01 6.96606750E-01 7.05460070E-01 7.42277604E-01 7.82279153E-01 7.95695329E-01 8.14890676E-01 8.40167527E-01 8.87083905E-01 9.10762771E-01 9.18537186E-01 9.70514295E-01 9.75263996E-01 1.01026793E+00 1.03024947E+00 1.04541493E+00 1.08991359E+00 1.11316221E+00 1.27065852E+00 1.33046490E+00 1.42742759E+00 1.63310408E+00 1.93304878E+00 2.34060229E+00 6.09392198E+00 Alpha MO coefficients R N= 11236 1.54522705E-05 1.85756782E-05 -4.12641429E-04 6.38557705E-09 -4.95526100E-06 -2.53210326E-06 -3.85760248E-05 2.42769199E-04 1.34686537E-04 -1.48970588E-04 -7.27896794E-04 -2.47801407E-04 2.08793534E-06 -1.50458815E-06 4.39234393E-06 -1.65662670E-06 -7.16357591E-06 -9.50618866E-06 1.07350573E-05 -2.38782667E-05 7.03492356E-06 3.68570201E-05 -1.14944997E-05 -3.34475589E-05 -1.26153303E-03 2.47587318E-06 -4.83038624E-06 -3.53691679E-06 -8.54469400E-05 3.14181250E-04 1.74562035E-04 -4.64767011E-04 1.75520677E-05 2.67967361E-04 -1.60210189E-06 -4.86614721E-06 2.00487142E-06 1.44286099E-06 -2.85589468E-06 1.10466072E-05 2.57187601E-05 -1.40242333E-05 -4.75973711E-06 1.27004409E-05 4.29710389E-04 5.65992600E-04 7.69607241E-04 1.47591610E-05 -1.64937790E-05 -1.33774983E-05 1.13893906E-04 3.62374967E-04 1.40790684E-04 -3.24373220E-04 1.60927304E-03 8.02357781E-04 -6.94713239E-06 -1.19679780E-05 1.22368036E-05 -4.73637917E-07 -2.03639299E-05 4.40887588E-05 7.60996225E-05 -8.24618094E-05 9.23632540E-06 1.30468844E-04 8.14167759E-05 1.21029815E-04 4.22706464E-04 1.09960412E-05 -2.25564271E-06 -4.95167448E-06 -7.06123940E-06 1.73743242E-04 1.00579968E-04 5.03016107E-04 -1.75798302E-04 -3.17533960E-04 -4.20426044E-06 -3.65239004E-06 -1.44882454E-06 7.44980316E-06 -2.01301639E-06 1.65511352E-05 9.85772826E-06 8.74547053E-06 -2.58544669E-05 7.64319251E-06 7.86215279E-05 1.73019757E-05 2.59932880E-03 -4.58507871E-05 4.42404162E-05 4.03572416E-05 1.13510596E-03 -1.56597682E-03 -9.32469316E-04 9.98848754E-01 6.68388395E-03 -5.30822467E-03 -9.86625353E-04 1.22521918E-03 7.18477955E-04 1.07792120E-03 -1.29320813E-03 -7.55233678E-04 6.52775101E-04 1.03874904E-03 1.46915209E-03 2.18909495E-05 -4.62420296E-06 -7.94279699E-06 1.09412080E-03 -3.10847585E-04 -7.99853341E-04 1.24786296E-04 -8.93444964E-05 -1.28639502E-04 -6.69991579E-06 8.33503204E-06 5.24554064E-07 -5.93686164E-06 -9.82388925E-07 2.93998230E-05 -7.14585790E-05 -3.62649511E-06 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1.90093585E-02 6.52673439E-03 7.30873682E-02 9.03925441E-02 -3.39544206E-02 -6.85652952E-02 -1.21938174E-02 6.70593432E-01 1.03225129E+00 3.51542014E-01 7.32689899E-03 -4.25152593E-02 -2.06923841E-02 2.75684762E-01 -5.09704195E-01 -4.22600709E-01 -7.91581472E-01 -3.61324757E-01 3.05124032E-01 -2.08601893E-02 -1.55115683E-02 2.49089358E-02 -1.14156845E-02 1.26673964E-03 8.18940390E-02 6.09009059E-02 -7.92177306E-02 2.70039425E-02 -9.18331109E-03 2.73054708E+00 4.64099706E+00 -2.73691605E+00 3.66761360E-02 -1.30395734E-02 -7.89971524E-03 3.26060240E+00 -3.36378885E+00 -2.58313454E+00 -2.99904171E-01 2.47178300E+00 1.05965176E+00 2.60578693E-02 3.62929943E-02 -3.15540320E-02 -1.54501755E-02 4.06602218E-02 -1.77393522E-01 -2.93964808E-01 2.48654278E-01 1.06576237E-01 -3.20912813E-01 -3.44877042E-01 -6.37106632E-01 4.33236138E-01 -1.20301806E-02 6.63359817E-03 8.90714046E-03 -4.15603950E-01 -5.23586052E-01 -1.24853184E-01 1.23506532E+00 -2.95946285E-02 -5.39062275E-01 -2.24977611E-02 -4.78802320E-04 1.38530512E-02 -6.71729223E-03 4.10521400E-02 1.04771466E-01 2.60366570E-03 -4.78262593E-02 8.50311892E-03 -1.96982906E-01 4.62768365E-02 1.17154502E+00 -4.35168774E+00 5.51304846E-02 -2.30079311E-02 -4.99033131E-02 3.03237182E+00 -2.37091973E+00 -1.76623032E+00 5.69673270E-03 6.27905859E-01 -1.90575607E+00 1.28024506E-01 -5.86526839E-02 -6.07044500E-02 -4.32652277E-01 -6.94669672E-03 1.42534663E-01 Cartesian Gradient R N= 18 -6.86403878E-03 3.21589709E-03 6.05360939E-03 -3.22175052E-03 -1.48481170E-04 9.14307144E-04 4.60881010E-03 -4.05548072E-03 -5.37812164E-03 5.44642101E-03 3.19164715E-03 -1.28045470E-03 -3.82714524E-02 4.95670350E-02 2.89807143E-02 3.83020106E-02 -5.17706174E-02 -2.92900545E-02 Cartesian Force Constants R N= 171 1.20258860E-01 -8.47581336E-04 1.05110618E-01 8.60142630E-04 3.86435928E-02 4.13031921E-02 -4.97979899E-02 -3.59461955E-02 -2.04988070E-02 8.75462134E-02 -1.70062323E-02 -4.75551261E-02 -2.02661943E-02 1.27342375E-02 8.97177252E-02 -1.00607384E-02 -2.06036585E-02 -2.44288732E-02 1.38063210E-04 4.59485304E-02 4.34119392E-02 -1.12712871E-02 -1.04780109E-03 2.58184298E-03 -5.76122215E-02 -2.06890436E-03 5.03767768E-03 1.55251134E-01 -7.04900107E-05 9.13350172E-03 6.94659203E-04 2.25172716E-02 -3.80070582E-02 -1.73890899E-02 1.31902091E-02 1.39430408E-01 -8.50956053E-04 -1.30578021E-04 7.86784035E-03 2.03006075E-02 -1.36637599E-02 -2.81255415E-02 -1.55815757E-02 5.82794043E-02 7.52078534E-02 -5.89922474E-02 3.91875203E-02 1.42170427E-02 1.11143459E-02 -1.64542301E-03 9.30124011E-04 -2.86906587E-02 -1.63093211E-02 4.28585815E-04 2.08314946E-01 7.74516303E-03 -7.63624099E-02 -1.61129566E-02 9.72715729E-04 -5.71835973E-03 -5.77678488E-03 -2.47841614E-02 -2.91796752E-02 -8.41736959E-04 8.07757722E-03 1.74521419E-01 7.43267506E-03 -1.73591423E-02 -3.20754045E-02 5.42066111E-05 -1.00504246E-02 8.12088037E-03 -9.47171051E-03 -9.05924301E-03 -5.75361723E-03 -4.03929499E-02 3.88862382E-02 7.75573926E-02 -6.47402723E-04 -1.11949674E-03 1.43764670E-03 8.73261983E-03 8.06635054E-03 3.82669142E-03 -7.39736669E-02 -1.97170404E-02 -2.58253942E-03 -1.33586162E-01 -4.29649609E-03 3.22624043E-02 8.81154193E-01 1.08633138E-02 9.32918380E-03 -8.27640394E-04 -2.43840628E-04 1.40217831E-03 -1.92169813E-03 -3.68385452E-03 -8.57457887E-02 -3.53595871E-02 -2.88809671E-02 -8.73577809E-02 -9.00409263E-03 -2.62245073E-01 4.37567649E-01 1.36863280E-03 7.88301593E-05 3.43825821E-03 -4.81811068E-05 -1.71390436E-03 6.14365755E-04 7.52597684E-03 -2.95437552E-02 -5.33554280E-02 2.16457967E-02 -1.52432393E-02 -5.79563892E-02 -4.04849625E-01 2.64567833E-01 4.27145716E-01 4.50067477E-04 -2.26445636E-04 1.40213195E-03 1.70322643E-05 -8.00284458E-05 1.28182081E-04 1.62967002E-02 3.89370715E-04 -1.71412206E-03 1.83977705E-03 1.22852015E-02 1.01153744E-02 -6.81679581E-01 2.84190422E-01 3.74357400E-01 6.63076004E-01 -6.84173234E-04 3.44232923E-04 -2.13146072E-03 -3.41887429E-05 1.60640530E-04 -2.57298980E-04 1.83945123E-02 4.36861253E-03 -8.28374227E-03 -4.29386371E-04 2.40968069E-02 6.58666434E-03 2.79311756E-01 -2.75195441E-01 -2.18145765E-01 -2.96558520E-01 2.46225148E-01 1.25024397E-03 -6.29044101E-04 3.89498710E-03 5.41108320E-05 -2.54247217E-04 4.07229419E-04 9.90778875E-03 -2.98197534E-03 4.15889288E-03 3.17140062E-03 -9.11520550E-04 1.01071380E-02 3.69905422E-01 -2.17454815E-01 -3.19886522E-01 -3.84288966E-01 2.22231602E-01 3.01318275E-01 Dipole Moment R N= 3 -5.63106637E-01 2.46612796E-01 2.87753201E-01