FUZHUD FOpt RM062X def2TZVPP Number of atoms I 8 Info1-9 I N= 9 27 27 0 0 0 110 2 18 -5502 Full Title C N= 1 FUZHUD Route C N= 5 # opt freq pop(nboread,savenbos) def2tzvpp m062x freq Charge I 0 Multiplicity I 1 Number of electrons I 82 Number of alpha electrons I 41 Number of beta electrons I 41 Number of basis functions I 292 Number of independent functions I 292 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Atomic numbers I N= 8 26 6 8 6 14 6 8 8 Nuclear charges R N= 8 2.60000000E+01 6.00000000E+00 8.00000000E+00 6.00000000E+00 1.40000000E+01 6.00000000E+00 8.00000000E+00 8.00000000E+00 Current cartesian coordinates R N= 24 0.00000000E+00 0.00000000E+00 -4.64769100E-01 2.14132818E-09 3.44240705E+00 -6.95466824E-01 3.47236047E-09 5.58217948E+00 -8.42306329E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 0.00000000E+00 0.00000000E+00 3.20126795E+00 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 4.83430923E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 Number of symbols in /Mol/ I 0 Int Atom Types I N= 8 0 0 0 0 0 0 0 0 Force Field I 0 Atom Types C N= 8 MM charges R N= 8 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Integer atomic weights I N= 8 56 12 16 12 28 12 16 16 Real atomic weights R N= 8 5.59349393E+01 1.20000000E+01 1.59949146E+01 1.20000000E+01 2.79769284E+01 1.20000000E+01 1.59949146E+01 1.59949146E+01 Atom fragment info I N= 8 0 0 0 0 0 0 0 0 Atom residue num I N= 8 0 0 0 0 0 0 0 0 Nuclear spins I N= 8 0 0 0 0 0 0 0 0 Nuclear ZEff R N= 8 -2.52200000E+01 -3.60000000E+00 -5.60000000E+00 -3.60000000E+00 -1.22500000E+01 -3.60000000E+00 -5.60000000E+00 -5.60000000E+00 Nuclear ZNuc R N= 8 2.60000000E+01 6.00000000E+00 8.00000000E+00 6.00000000E+00 1.40000000E+01 6.00000000E+00 8.00000000E+00 8.00000000E+00 Nuclear QMom R N= 8 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Nuclear GFac R N= 8 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 MicOpt I N= 8 -1 -1 -1 -1 -1 -1 -1 -1 Number of residues I 0 Number of secondary structures I 0 Redundant internal dimensions I N= 4 23 7 12 4 Redundant internal coordinate indices I N= 92 1 2 0 0 1 4 0 0 1 5 0 0 1 6 0 0 2 3 0 0 4 7 0 0 6 8 0 0 2 1 4 0 2 1 5 0 2 1 6 0 4 1 5 0 4 1 6 0 5 1 6 0 1 2 3 -71 1 4 7 -31 1 6 8 -31 1 2 3 -72 1 4 7 -32 1 6 8 -32 2 1 5 4 2 1 6 4 2 1 6 5 4 1 6 5 Redundant internal coordinates R N= 23 3.45012866E+00 3.45012866E+00 3.66603705E+00 3.45012866E+00 2.14480485E+00 2.14480485E+00 2.14480485E+00 2.08666806E+00 1.63771267E+00 2.08666806E+00 1.63771267E+00 2.08666806E+00 1.63771267E+00 3.14140584E+00 3.14140584E+00 3.14140584E+00 3.13901678E+00 3.14416853E+00 3.13901678E+00 -2.09439510E+00 2.91098801E+00 -1.68609865E+00 1.68609865E+00 ZRed-IntVec I N= 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ZRed-FPVec R N= 23 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 ZRed-Constraint1 R N= 23 3.58044105E+00 3.58044106E+00 2.78539019E+00 3.58044106E+00 2.12481330E+00 2.12481329E+00 2.12481329E+00 2.01087061E+00 1.79476516E+00 2.01087061E+00 1.79476516E+00 2.01087061E+00 1.79476516E+00 3.16063613E+00 3.16063613E+00 3.16063613E+00 3.23542827E+00 3.04775704E+00 3.23542826E+00 -2.09439510E+00 2.40711440E+00 -1.93803545E+00 1.93803545E+00 ZRed-Constraint2 R N= 23 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 SymInf integers I N= 26 2 2 1 1 1 -1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RotTr to input orientation R N= 12 1.00000000E+00 -6.22043861E-10 -0.00000000E+00 6.22043861E-10 1.00000000E+00 0.00000000E+00 -0.00000000E+00 -0.00000000E+00 1.00000000E+00 2.27287668E-15 -1.16979597E-15 1.91788330E-01 Number of contracted shells I 98 Number of primitive shells I 186 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Highest angular momentum I 4 Largest degree of contraction I 8 Shell types I N= 98 0 0 0 0 0 0 1 1 1 1 1 -2 -2 -2 -2 -3 -3 -4 0 0 0 0 0 1 1 1 -2 -2 -3 0 0 0 0 0 1 1 1 -2 -2 -3 0 0 0 0 0 1 1 1 -2 -2 -3 0 0 0 0 0 1 1 1 1 1 -2 -2 -2 -3 0 0 0 0 0 1 1 1 -2 -2 -3 0 0 0 0 0 1 1 1 -2 -2 -3 0 0 0 0 0 1 1 1 -2 -2 -3 Number of primitives per shell I N= 98 8 4 2 1 1 1 6 3 1 1 1 4 1 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 7 3 2 1 1 5 1 1 1 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 6 2 1 1 1 4 1 1 1 1 1 Shell to atom map I N= 98 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 Primitive exponents R N= 186 3.00784846E+05 4.50889706E+04 1.02625163E+04 2.90528973E+03 9.46114871E+02 3.39878329E+02 1.31944256E+02 5.21114941E+01 3.29488393E+02 1.01923327E+02 1.62404627E+01 6.88406758E+00 1.04706938E+01 1.73600396E+00 7.25772890E-01 1.15955282E-01 4.19682277E-02 1.58539600E+03 3.75380065E+02 1.20318165E+02 4.47887490E+01 1.78292786E+01 7.22471538E+00 2.81432198E+01 3.87432414E+00 1.54107523E+00 5.82856153E-01 2.20400000E-01 8.33800000E-02 6.19966750E+01 1.78737326E+01 6.27447829E+00 2.35523372E+00 8.54322399E-01 2.78692544E-01 9.10000000E-02 3.46500000E+00 8.43000000E-01 2.12800000E+00 1.35753497E+04 2.03523337E+03 4.63225624E+02 1.31200196E+02 4.28530159E+01 1.55841858E+01 6.20671385E+00 2.57648965E+00 5.76963394E-01 2.29728314E-01 9.51644400E-02 3.46972322E+01 7.95826228E+00 2.37808269E+00 8.14332082E-01 2.88875473E-01 1.00568237E-01 1.09700000E+00 3.18000000E-01 7.61000000E-01 2.70323826E+04 4.05238714E+03 9.22327227E+02 2.61240710E+02 8.53546414E+01 3.10350352E+01 1.22608607E+01 4.99870760E+00 1.17031082E+00 4.64747410E-01 1.85045364E-01 6.32749548E+01 1.46270494E+01 4.45012235E+00 1.52757996E+00 5.29351179E-01 1.74784213E-01 2.31400000E+00 6.45000000E-01 1.42800000E+00 1.35753497E+04 2.03523337E+03 4.63225624E+02 1.31200196E+02 4.28530159E+01 1.55841858E+01 6.20671385E+00 2.57648965E+00 5.76963394E-01 2.29728314E-01 9.51644400E-02 3.46972322E+01 7.95826228E+00 2.37808269E+00 8.14332082E-01 2.88875473E-01 1.00568237E-01 1.09700000E+00 3.18000000E-01 7.61000000E-01 4.47733581E+04 6.71719921E+03 1.52889603E+03 4.32547466E+02 1.40615052E+02 4.98576367E+01 1.84349749E+01 8.65338861E+01 2.66246068E+01 4.49530572E+00 2.10350457E+00 1.01060949E+00 2.37017515E-01 8.57034054E-02 3.94475036E+02 9.31376831E+01 2.95196087E+01 1.07816638E+01 4.16265748E+00 1.62479730E+00 5.43066605E-01 2.05820740E-01 7.00534873E-02 2.30300000E+00 4.76000000E-01 1.60000000E-01 3.36000000E-01 1.35753497E+04 2.03523337E+03 4.63225624E+02 1.31200196E+02 4.28530159E+01 1.55841858E+01 6.20671385E+00 2.57648965E+00 5.76963394E-01 2.29728314E-01 9.51644400E-02 3.46972322E+01 7.95826228E+00 2.37808269E+00 8.14332082E-01 2.88875473E-01 1.00568237E-01 1.09700000E+00 3.18000000E-01 7.61000000E-01 2.70323826E+04 4.05238714E+03 9.22327227E+02 2.61240710E+02 8.53546414E+01 3.10350352E+01 1.22608607E+01 4.99870760E+00 1.17031082E+00 4.64747410E-01 1.85045364E-01 6.32749548E+01 1.46270494E+01 4.45012235E+00 1.52757996E+00 5.29351179E-01 1.74784213E-01 2.31400000E+00 6.45000000E-01 1.42800000E+00 2.70323826E+04 4.05238714E+03 9.22327227E+02 2.61240710E+02 8.53546414E+01 3.10350352E+01 1.22608607E+01 4.99870760E+00 1.17031082E+00 4.64747410E-01 1.85045364E-01 6.32749548E+01 1.46270494E+01 4.45012235E+00 1.52757996E+00 5.29351179E-01 1.74784213E-01 2.31400000E+00 6.45000000E-01 1.42800000E+00 Contraction coefficients R N= 186 2.41033050E-04 1.86873825E-03 9.71551346E-03 3.94799670E-02 1.28421628E-01 3.04578608E-01 4.34655538E-01 2.27423824E-01 -2.47166458E-02 -1.16695998E-01 5.52297794E-01 5.35397520E-01 -3.77458698E-01 1.17226229E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 2.73956418E-03 2.21674966E-02 1.03648403E-01 2.97032307E-01 4.77733744E-01 2.78717499E-01 -2.02687424E-02 3.86033815E-01 6.75382473E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.94973340E-02 1.19228681E-01 3.76252748E-01 6.49978431E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.06455036E-04 4.69790889E-03 2.43324776E-02 9.73999683E-02 3.01955843E-01 6.62336091E-01 6.55953085E-01 3.75856333E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.13272200E-02 7.61696592E-02 3.01922522E-01 7.27850273E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.72273352E-04 4.43532335E-03 2.30201077E-02 9.28224907E-02 2.93785000E-01 6.74016045E-01 6.38399370E-01 3.95345871E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.20183322E-02 8.30054218E-02 3.19917439E-01 7.07155429E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.06455036E-04 4.69790889E-03 2.43324776E-02 9.73999683E-02 3.01955843E-01 6.62336091E-01 6.55953085E-01 3.75856333E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.13272200E-02 7.61696592E-02 3.01922522E-01 7.27850273E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.48003632E-04 4.23449273E-03 2.17448992E-02 8.47654854E-02 2.44428282E-01 4.51000571E-01 3.35676163E-01 7.59858951E-02 3.37747883E-01 -1.16355340E+00 7.00736053E-01 3.20103620E-01 1.00000000E+00 1.00000000E+00 3.77379130E-03 2.95122612E-02 1.32183673E-01 3.67045026E-01 6.04590446E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.06455036E-04 4.69790889E-03 2.43324776E-02 9.73999683E-02 3.01955843E-01 6.62336091E-01 6.55953085E-01 3.75856333E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.13272200E-02 7.61696592E-02 3.01922522E-01 7.27850273E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.72273352E-04 4.43532335E-03 2.30201077E-02 9.28224907E-02 2.93785000E-01 6.74016045E-01 6.38399370E-01 3.95345871E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.20183322E-02 8.30054218E-02 3.19917439E-01 7.07155429E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.72273352E-04 4.43532335E-03 2.30201077E-02 9.28224907E-02 2.93785000E-01 6.74016045E-01 6.38399370E-01 3.95345871E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.20183322E-02 8.30054218E-02 3.19917439E-01 7.07155429E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 Coordinates of each shell R N= 294 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 0.00000000E+00 0.00000000E+00 3.20126795E+00 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 Num ILSW I 100 ILSW I N= 100 0 0 0 1 2 0 0 0 0 0 4336 -1 5 0 0 0 2 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 -2000000000 1 0 0 0 0 0 4 52 0 0 0 0 55 0 0 0 0 0 0 0 0 1 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 Num RLSW I 52 RLSW R N= 52 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.40000000E-01 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+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 ECP-MxAtEC I 250000 ECP-MaxLECP I 10 ECP-MaxAtL I 2250000 ECP-MxTECP I 11250000 ECP-LenNCZ I 0 ECP-KFirst I N= 80 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 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 ECP-KLast I N= 80 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 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 ECP-LMax I N= 8 0 0 0 0 0 0 0 0 ECP-LPSkip I N= 8 1 1 1 1 1 1 1 1 ECP-RNFroz R N= 8 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 ECP-NLP I 0 ECP-CLP1 R 0.000000000000000E+00 ECP-CLP2 R 0.000000000000000E+00 ECP-ZLP R 0.000000000000000E+00 MxBond I 4 NBond I N= 8 4 2 1 2 1 2 1 1 IBond I N= 32 2 4 5 6 1 3 0 0 2 0 0 0 1 7 0 0 1 0 0 0 1 8 0 0 4 0 0 0 6 0 0 0 RBond R N= 32 1.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 1.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Virial Ratio R 2.002009434539473E+00 SCF Energy R -1.893045862320806E+03 Total Energy R -1.893045862320806E+03 RMS Force R 5.486902324287898E-05 RMS Density R 6.149750830877052E-09 Job Status I 1 Nuclear derivative order I 1 External E-field R N= 35 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 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 IOpCl I 0 IROHF I 0 Alpha Orbital Energies R N= 292 -2.51656532E+02 -6.61218511E+01 -3.54002844E+01 -2.64187268E+01 -2.64180400E+01 -2.64180400E+01 -1.94115983E+01 -1.94115983E+01 -1.94115983E+01 -1.05139358E+01 -1.05139358E+01 -1.05139358E+01 -6.18007669E+00 -4.97022798E+00 -3.88988545E+00 -3.88988545E+00 -3.88348207E+00 -2.43442538E+00 -2.42389323E+00 -2.42389323E+00 -1.39053292E+00 -1.39053292E+00 -1.39053292E+00 -8.46458939E-01 -8.46458939E-01 -8.46458939E-01 -6.57942003E-01 -6.57942003E-01 -6.57942003E-01 -6.30396290E-01 -5.45376843E-01 -5.45376843E-01 -5.45376843E-01 -5.41369299E-01 -5.41369299E-01 -5.41369299E-01 -3.60878835E-01 -3.31841754E-01 -3.31841754E-01 -1.91700668E-01 -1.91700668E-01 2.06907379E-02 6.71833063E-02 6.71833063E-02 7.47964761E-02 7.47964761E-02 7.47964761E-02 8.22494943E-02 8.22494943E-02 8.22494943E-02 1.06376174E-01 3.60587534E-01 3.60587534E-01 3.60587534E-01 7.84284454E-01 7.84284454E-01 7.84284454E-01 5.98577597E-01 5.98577597E-01 6.17270600E-01 6.52880636E-01 6.52880637E-01 8.28306119E-01 8.34949826E-01 8.34949826E-01 8.34949826E-01 8.62025002E-01 8.62025002E-01 8.62025002E-01 8.70571786E-01 8.70571786E-01 9.31667685E-01 9.45935314E-01 9.45935314E-01 9.45935314E-01 9.85699103E-01 9.85699103E-01 9.85699103E-01 1.00330543E+00 1.01356094E+00 1.01356094E+00 1.02538786E+00 1.04234524E+00 1.04234524E+00 1.04400509E+00 1.05840731E+00 1.05840731E+00 1.12518073E+00 1.13084278E+00 1.13638830E+00 1.13806055E+00 1.15282968E+00 1.16700286E+00 1.16700286E+00 1.16700286E+00 1.16883980E+00 1.16915837E+00 1.17302286E+00 1.21595470E+00 1.21862683E+00 1.25573722E+00 1.26438145E+00 1.26438145E+00 1.26554309E+00 1.26554309E+00 1.26554309E+00 1.28241064E+00 1.28932186E+00 1.39271965E+00 1.39733416E+00 1.40453442E+00 1.40528009E+00 1.40528009E+00 1.50280096E+00 1.51280481E+00 1.51280481E+00 1.54188365E+00 1.54335240E+00 1.54335240E+00 1.65495549E+00 1.65495549E+00 1.65495549E+00 1.65798079E+00 1.65889557E+00 1.65889557E+00 1.65889557E+00 1.66111480E+00 1.66111480E+00 1.66111480E+00 1.68173875E+00 1.68945592E+00 1.71185643E+00 1.71557447E+00 1.71557448E+00 1.73189016E+00 1.73726374E+00 1.79297284E+00 1.79297284E+00 1.80316255E+00 1.81924499E+00 1.81924500E+00 1.81924502E+00 1.88913973E+00 1.89230965E+00 1.96954147E+00 1.96954147E+00 1.96954147E+00 1.99628383E+00 2.07198532E+00 2.07198533E+00 2.15500667E+00 2.15500667E+00 2.20728585E+00 2.20935359E+00 2.31151461E+00 2.31151461E+00 2.38544578E+00 2.38788327E+00 2.38788327E+00 2.42882694E+00 2.42882695E+00 2.48883781E+00 2.48883781E+00 2.48883781E+00 2.51166927E+00 2.51166927E+00 2.51166927E+00 2.52635728E+00 2.59146706E+00 2.60687869E+00 2.64422860E+00 2.64422860E+00 2.68352955E+00 2.68352956E+00 2.70611769E+00 2.72708056E+00 2.77201285E+00 2.78069178E+00 2.78169308E+00 2.78252332E+00 2.79365525E+00 2.79365525E+00 2.79675654E+00 2.80044447E+00 2.81897477E+00 2.81897477E+00 2.90387048E+00 2.90387048E+00 2.91316526E+00 2.92597883E+00 2.92597883E+00 2.94521256E+00 2.94580408E+00 3.01177529E+00 3.03330968E+00 3.04433779E+00 3.04433779E+00 3.05137146E+00 3.06264882E+00 3.06940183E+00 3.07912233E+00 3.07912233E+00 3.20571336E+00 3.21211547E+00 3.25205444E+00 3.25205444E+00 3.31239165E+00 3.31239165E+00 3.39498445E+00 3.39498449E+00 3.39573017E+00 3.40304427E+00 3.51005384E+00 3.57103133E+00 3.61094344E+00 3.61094344E+00 3.67692070E+00 3.67692070E+00 3.84502116E+00 3.84502116E+00 3.84841270E+00 4.04294570E+00 4.25202260E+00 4.25646808E+00 4.34580638E+00 4.34672546E+00 4.48536216E+00 5.13563482E+00 5.26232909E+00 5.26232909E+00 5.33437741E+00 5.33437741E+00 5.33501040E+00 5.34308163E+00 5.38110818E+00 5.38110818E+00 5.45703683E+00 5.45703683E+00 5.49638417E+00 5.51842873E+00 5.51842873E+00 5.63498560E+00 5.68871366E+00 5.69202079E+00 5.69202079E+00 5.77158136E+00 5.77239858E+00 5.84027984E+00 5.85453073E+00 5.85453073E+00 6.13165493E+00 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 1.00000000E+03 Alpha MO coefficients R N= 85264 9.28717176E-01 1.94104180E-01 -3.70834652E-02 -3.14120648E-02 -1.01045541E-03 1.71554385E-04 7.96138379E-17 -3.54418137E-16 -3.87001255E-06 3.29329023E-16 8.92781753E-16 7.08674012E-06 1.93231304E-15 1.72505979E-15 2.84446551E-05 -4.98884337E-15 -1.04112510E-14 -5.73556465E-06 8.26361082E-15 -3.21645031E-13 -2.49905256E-04 1.29887653E-04 1.40063118E-15 1.26788650E-15 2.91376448E-15 2.32531441E-15 7.28527324E-05 9.91816486E-16 1.65444609E-15 1.50031258E-15 1.33986341E-15 1.03215699E-04 6.78209243E-16 -1.43533417E-15 6.72002891E-15 2.31650664E-15 1.91553973E-05 7.75128659E-16 -1.24319337E-14 9.52794048E-14 -4.02401408E-15 1.01001187E-07 -8.00325158E-18 1.59587229E-16 -9.36869803E-17 9.84110445E-19 1.34719222E-19 -7.53789303E-07 1.28790098E-06 1.44718025E-16 -1.30621287E-16 1.85062108E-16 -3.52476932E-17 -6.33878820E-19 1.55576147E-06 7.65831972E-08 -8.32492499E-18 -1.81062364E-17 7.55529357E-18 -1.23060865E-17 9.15458708E-21 -5.84376665E-08 2.07515989E-17 1.63787649E-17 -4.68556902E-05 -1.26390152E-04 1.65961382E-04 5.21240960E-04 1.70522738E-04 3.24607697E-16 -1.43370868E-04 9.48273598E-06 8.00213318E-16 -2.16230266E-04 3.72584503E-05 3.85810328E-16 -9.53672138E-05 2.23970131E-05 9.53369562E-07 1.37895360E-17 2.09131079E-07 1.26121238E-06 6.88397019E-18 -3.42883709E-06 -4.70119210E-17 -9.52892627E-07 -4.41675858E-06 -6.21353386E-18 -2.27435862E-07 -4.62212453E-18 6.74669128E-07 -2.72109237E-07 -5.66808870E-18 4.35538226E-18 5.80043703E-07 3.40722771E-06 7.77168171E-06 -1.28888595E-05 1.55290598E-05 -8.54031096E-05 -1.08772758E-16 1.47144163E-05 -2.09820633E-06 -1.07293785E-16 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4.30704578E+00 -1.84758043E+01 -7.29457545E-01 4.11738352E-01 2.26247524E-01 2.21597921E-02 3.16145841E+00 1.95175692E+00 1.32314418E-01 2.87034179E-01 5.34454247E-01 1.17741313E-01 5.11276568E-02 -1.70727915E-02 -8.86784029E-03 -3.26153098E-02 -8.61197064E-02 3.06837928E+00 -6.97343193E-01 -3.94311385E-01 -2.88378253E+00 -4.62732196E+00 5.21355393E-03 -3.22941547E-01 -2.00753579E-01 4.21525975E-03 1.67766081E-02 -6.16017825E-02 3.65902145E-01 4.11587837E-02 -1.16991136E-01 1.18427948E+00 -7.64842864E+00 -7.37976747E+00 -2.13180995E-01 1.44273519E-01 1.83139832E-02 3.46735830E+00 -2.06891577E+00 -3.25078591E-01 2.52471922E+00 -1.35431958E+00 -1.33886173E-01 6.99392619E-03 8.94049021E-03 -4.74762612E-03 -1.26009036E-02 6.16575709E-03 2.93381156E-01 8.19633920E-02 -4.65561483E-02 -2.49619083E-01 4.29155590E-01 8.64683995E-03 2.03357428E-02 -1.55218564E-02 -5.09471695E-03 5.09963546E-03 1.36540450E-02 5.56901455E-02 -4.11587837E-02 1.16991136E-01 -1.18427948E+00 7.64842864E+00 7.37976747E+00 -2.13180995E-01 -1.44273519E-01 -1.83139832E-02 3.46735830E+00 2.06891577E+00 3.25078591E-01 2.52471922E+00 1.35431958E+00 1.33886173E-01 -6.99392619E-03 8.94049021E-03 4.74762612E-03 1.26009036E-02 6.16575709E-03 -2.93381156E-01 8.19633920E-02 4.65561483E-02 2.49619083E-01 4.29155590E-01 -8.64683995E-03 2.03357428E-02 1.55218564E-02 5.09471695E-03 5.09963546E-03 1.36540450E-02 -5.56901455E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -9.30341571E-03 0.00000000E+00 0.00000000E+00 4.95714776E-02 0.00000000E+00 0.00000000E+00 -1.33288129E-01 0.00000000E+00 0.00000000E+00 2.98441839E-01 0.00000000E+00 0.00000000E+00 -5.71566942E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.51767342E-02 0.00000000E+00 0.00000000E+00 -1.70996040E-03 0.00000000E+00 7.85108608E-02 0.00000000E+00 0.00000000E+00 -1.86923254E-03 0.00000000E+00 -2.98626827E-01 0.00000000E+00 0.00000000E+00 3.96791906E-01 0.00000000E+00 -2.44627248E+00 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-2.42025411E-02 0.00000000E+00 0.00000000E+00 1.37734473E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.11339255E-03 0.00000000E+00 0.00000000E+00 3.35476672E-03 0.00000000E+00 -2.21273316E-02 0.00000000E+00 0.00000000E+00 -3.06505002E-02 0.00000000E+00 -3.18362825E-03 0.00000000E+00 0.00000000E+00 9.39917640E-04 -9.76562486E-03 0.00000000E+00 2.55148462E-02 -6.94415355E-02 2.48001849E-01 -3.46533726E-01 4.99186057E+01 4.37249877E-02 -1.32819403E-02 -1.05205169E-01 3.49641854E-01 -2.89350890E-01 6.50583614E-01 -1.68024733E+01 9.31988309E+00 2.11429834E+00 -5.32961267E-02 2.22676193E-02 -3.50324411E-02 -6.74662622E-02 1.07818431E-01 -8.75953014E-02 -6.07519434E-03 8.53756916E-02 4.37535289E-01 -7.67199106E-01 -8.63637826E-02 -1.43134470E-02 2.17764618E-02 1.49070123E-02 -4.08063862E-02 -1.03955609E-02 -3.73027627E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00867729E-01 0.00000000E+00 0.00000000E+00 4.08784171E-01 0.00000000E+00 0.00000000E+00 -1.24765247E+00 0.00000000E+00 0.00000000E+00 3.56932392E+00 0.00000000E+00 0.00000000E+00 3.00087498E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.67546403E-02 0.00000000E+00 0.00000000E+00 2.05827148E-02 0.00000000E+00 1.60432939E-01 0.00000000E+00 0.00000000E+00 -1.02852409E-01 0.00000000E+00 -1.96171934E+00 0.00000000E+00 0.00000000E+00 4.67536131E-02 0.00000000E+00 1.82196715E-01 0.00000000E+00 0.00000000E+00 -7.01020279E-02 5.92560927E-15 0.00000000E+00 -2.55148462E-02 6.94415355E-02 -2.48001849E-01 3.46533726E-01 -4.99186057E+01 4.37249877E-02 1.32819403E-02 1.05205169E-01 3.49641854E-01 2.89350890E-01 -6.50583614E-01 -1.68024733E+01 -9.31988309E+00 -2.11429834E+00 5.32961267E-02 2.22676193E-02 3.50324411E-02 6.74662622E-02 1.07818431E-01 8.75953014E-02 -6.07519434E-03 -8.53756916E-02 -4.37535289E-01 -7.67199106E-01 8.63637826E-02 -1.43134470E-02 -2.17764618E-02 -1.49070123E-02 -4.08063862E-02 -1.03955609E-02 3.73027627E-02 9.62579305E-03 -2.67042362E-02 1.72714449E-01 -8.58675867E-01 4.33434766E-01 4.23702557E-02 -1.73229897E-02 1.88608695E-02 9.80364782E-03 -1.96334823E-02 -1.49878434E-01 1.71581502E+00 -9.11105228E-01 -3.06310369E-01 -1.99639311E-02 -2.03562123E-02 1.64369340E-02 2.64133523E-02 -4.23945015E-02 4.62081149E-02 1.39489146E-01 -9.33093166E-02 -1.00607185E-01 1.43606256E-01 2.36695345E-02 2.02969475E-02 -1.35565167E-02 -1.48712165E-02 2.66976202E-02 4.88281243E-03 -6.99387973E-03 -9.62579305E-03 2.67042362E-02 -1.72714449E-01 8.58675867E-01 -4.33434766E-01 4.23702557E-02 1.73229897E-02 -1.88608695E-02 9.80364782E-03 1.96334823E-02 1.49878434E-01 1.71581502E+00 9.11105228E-01 3.06310369E-01 1.99639311E-02 -2.03562123E-02 -1.64369340E-02 -2.64133523E-02 -4.23945015E-02 -4.62081149E-02 1.39489146E-01 9.33093166E-02 1.00607185E-01 1.43606256E-01 -2.36695345E-02 2.02969475E-02 1.35565167E-02 1.48712165E-02 2.66976202E-02 4.88281243E-03 6.99387973E-03 Total SCF Density R N= 42778 2.21709571E+00 -7.49218355E-01 2.58389959E+00 1.20109593E-01 -5.12651340E-01 8.61545226E-01 1.35850885E-01 -5.00336571E-01 6.54090483E-01 5.06786304E-01 -1.19775979E-02 2.84846863E-02 -5.12374716E-02 -6.11492234E-02 1.11294991E-01 -1.41406279E-03 3.74867970E-03 -7.29251315E-03 -8.24462796E-03 1.35305644E-02 2.46311648E-03 -3.28692044E-32 1.97215226E-31 -5.25907270E-31 -1.05181454E-30 -5.04870979E-29 3.36580653E-29 2.25677085E+00 9.86076132E-32 6.57384088E-32 -3.94430453E-31 -7.88860905E-31 -1.68290326E-29 1.68290326E-29 0.00000000E+00 2.25677085E+00 -5.60831742E-04 1.70847180E-03 -4.96026189E-03 -4.44874549E-03 1.58513937E-02 -1.98046925E-03 3.94430453E-31 1.31476818E-31 2.24844425E+00 6.57384088E-32 -5.25907270E-31 1.05181454E-30 8.41451632E-30 0.00000000E+00 -1.34632261E-28 -6.35061435E-01 -9.25185854E-18 -5.25907270E-31 1.60272704E+00 1.31476818E-31 -2.62953635E-31 1.05181454E-30 0.00000000E+00 -6.73161306E-29 -6.73161306E-29 1.85037171E-17 -6.35061435E-01 -2.62953635E-31 0.00000000E+00 1.60272704E+00 1.60491877E-03 -4.71610036E-03 1.53815561E-02 1.03571882E-02 -1.90357950E-02 -5.74202918E-04 -1.05181454E-30 5.25907270E-31 -6.12230760E-01 2.10362908E-30 1.57772181E-30 1.54038319E+00 1.97215226E-31 -5.25907270E-31 0.00000000E+00 5.25907270E-31 -5.04870979E-29 -3.36580653E-29 -2.12052281E-01 2.31296463E-18 1.26217745E-29 4.59068738E-01 4.62592927E-18 -1.68290326E-29 1.32298235E-01 -6.57384088E-32 -5.25907270E-31 4.27299657E-31 1.31476818E-30 -3.36580653E-29 -1.68290326E-29 0.00000000E+00 -2.12052281E-01 6.31088724E-30 -9.25185854E-18 4.59068738E-01 8.41451632E-30 -1.15648232E-18 1.32298235E-01 8.83460413E-04 -1.55702758E-03 1.15297505E-03 2.63451743E-04 -4.38020424E-03 3.13649564E-04 4.20725816E-30 -1.05181454E-30 -2.07310818E-01 2.10362908E-30 1.05181454E-30 4.44621869E-01 -4.20725816E-30 -2.10362908E-30 1.29481424E-01 -4.20725816E-30 3.36580653E-29 -3.36580653E-29 -3.36580653E-29 2.01948392E-28 3.36580653E-29 1.94196424E-02 -2.89120579E-19 -5.04870979E-29 -3.00659784E-02 2.89120579E-19 6.73161306E-29 -9.61598182E-03 0.00000000E+00 8.41451632E-30 2.62274084E-02 -8.41451632E-30 8.41451632E-30 -1.68290326E-29 -1.68290326E-29 1.34632261E-28 0.00000000E+00 -2.89120579E-19 1.94196424E-02 -1.68290326E-29 0.00000000E+00 -3.00659784E-02 3.36580653E-29 0.00000000E+00 -9.61598182E-03 0.00000000E+00 -2.89120579E-19 2.62274084E-02 -1.65361283E-03 2.86302985E-03 2.84430877E-04 -6.51783636E-04 3.02103524E-03 -3.60788765E-04 -2.10362908E-30 1.05181454E-30 6.21620173E-03 -5.04870979E-29 8.41451632E-30 1.81857762E-02 -8.41451632E-30 -4.20725816E-30 5.48087515E-03 1.68290326E-29 3.36580653E-29 3.53825360E-03 -6.73161306E-29 0.00000000E+00 -2.15411618E-27 -2.15411618E-27 2.15411618E-27 5.38529045E-28 2.63454329E-02 0.00000000E+00 2.69264522E-28 -9.36546655E-02 0.00000000E+00 -1.07705809E-27 -2.76336114E-02 -2.89120579E-19 -1.34632261E-28 4.29836249E-02 5.78241159E-19 2.69264522E-28 2.14734655E-01 -6.73161306E-29 0.00000000E+00 -5.38529045E-28 -1.07705809E-27 0.00000000E+00 2.69264522E-28 -5.78241159E-19 2.63454329E-02 1.34632261E-28 -1.15648232E-18 -9.36546655E-02 -1.07705809E-27 5.78241159E-19 -2.76336114E-02 -1.34632261E-28 -1.15648232E-18 4.29836249E-02 5.38529045E-28 4.62592927E-18 2.14734655E-01 -2.69909765E-03 7.41147883E-03 -1.00337273E-02 -9.96889605E-03 1.14503976E-02 2.22569394E-03 6.73161306E-29 5.04870979E-29 -6.02950583E-03 1.34632261E-28 1.34632261E-28 -1.11669418E-02 3.36580653E-29 8.41451632E-30 -1.22631400E-03 -1.34632261E-28 -6.73161306E-29 2.04746982E-03 -2.69264522E-28 -5.38529045E-28 7.97798105E-03 -7.05729521E-03 2.26267602E-02 -5.51535094E-02 -5.68987450E-02 6.21654133E-02 1.37727030E-02 2.40933816E-20 4.33680869E-19 3.24851102E-02 3.85494106E-19 -3.46944695E-18 -8.96859061E-02 2.24387102E-29 2.24387102E-29 -1.00482587E-02 -1.79509682E-28 -2.16840435E-19 1.09749980E-02 2.87215490E-27 2.15411618E-27 4.22932172E-02 4.30315241E-01 1.13862264E-31 -3.03632704E-31 7.59081760E-32 2.42906163E-30 -5.82974792E-29 -3.88649861E-29 -5.62230366E-03 0.00000000E+00 -7.59081760E-32 1.69692907E-02 0.00000000E+00 6.07265408E-31 -7.20378577E-03 8.34619222E-20 -4.85812326E-30 3.51802906E-02 -3.33847689E-19 3.88649861E-29 4.96731265E-02 6.67695377E-19 3.10919889E-28 -1.61937442E-30 4.36069577E-01 0.00000000E+00 1.51816352E-31 -1.89770440E-31 1.21453082E-30 -1.94324931E-29 0.00000000E+00 0.00000000E+00 -5.62230366E-03 -7.59081760E-32 -1.66923844E-19 1.69692907E-02 6.07265408E-31 0.00000000E+00 -7.20378577E-03 -4.85812326E-30 -3.33847689E-19 3.51802906E-02 -1.94324931E-29 -1.33539075E-18 4.96731265E-02 1.55459944E-28 -4.04843605E-31 0.00000000E+00 4.36069577E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.46944695E-18 0.00000000E+00 0.00000000E+00 -3.79751746E-18 9.32773939E-03 0.00000000E+00 1.10169737E-17 -2.73407445E-02 0.00000000E+00 1.54404556E-18 -3.82828932E-03 0.00000000E+00 1.87789325E-18 -4.67498137E-03 0.00000000E+00 -8.01234453E-17 1.88486584E-01 0.00000000E+00 0.00000000E+00 4.93432455E-17 -1.24923152E-01 4.00979498E-01 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1.04021009E-06 1.25524399E-20 2.73050058E-05 Grdnt Energy R -1.893045862320806E+03 Grdnt NVar I 23 Grdnt IGetFC I 0 Internal Forces R N= 23 4.48587117E-06 4.48748426E-06 -1.70715658E-04 4.48909808E-06 1.47538698E-05 1.47554841E-05 1.47570986E-05 1.20056224E-07 2.74725968E-06 -1.00771093E-06 2.74869476E-06 -1.02949835E-06 2.83608763E-06 1.95812739E-06 1.96631601E-06 1.95789936E-06 1.01888892E-05 -1.01876925E-05 1.01877070E-05 -7.59077169E-07 -9.37135440E-06 -4.68629722E-06 4.68505718E-06 Internal Force Constants R N= 276 1.84349200E-01 -7.46524252E-04 1.84415178E-01 2.53421251E-03 2.53987226E-03 4.94335266E-01 -7.13951619E-04 -6.80867515E-04 2.54734916E-03 1.84480514E-01 -3.00147242E-03 -2.99399672E-03 -3.07372913E-02 -2.98406365E-03 1.54290354E+00 -2.96915993E-03 -2.96162075E-03 -3.07287647E-02 -2.95162406E-03 5.64729400E-04 1.54292636E+00 -2.93698207E-03 -2.92937925E-03 -3.07192924E-02 -2.91931876E-03 5.77433047E-04 5.88938823E-04 1.54295196E+00 3.19855150E-03 3.17942271E-03 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-7.99700613E-04 -8.62506698E-04 -2.97714996E-03 2.99675681E-03 -2.99358670E-03 1.63946294E-03 4.07391149E-02 8.81568878E-04 8.87628513E-04 -1.00397847E-02 8.93775819E-04 -3.73283480E-03 -3.72664580E-03 -3.72039516E-03 -2.47251445E-03 8.44527976E-03 -1.20344694E-03 8.45553477E-03 -1.28242048E-03 8.25376699E-03 -4.32329181E-04 -4.04953679E-04 -4.36129194E-04 -1.49984836E-03 1.50958088E-03 -1.50799872E-03 8.18718867E-04 9.53353134E-04 3.92869641E-02 -9.41718026E-04 -9.47868417E-04 1.00687693E-02 -9.54106204E-04 3.74936234E-03 3.74308313E-03 3.73674224E-03 2.49297292E-03 -8.43936122E-03 1.22028485E-03 -8.44977816E-03 1.30040650E-03 -8.24730366E-03 4.22519254E-04 3.94746935E-04 4.26377505E-04 1.47730160E-03 -1.48717593E-03 1.48558798E-03 -8.20744069E-04 -9.71077681E-04 -4.81073158E-04 3.93046886E-02 Mulliken Charges R N= 8 -5.73297633E-01 1.71275395E-01 -5.88181403E-02 1.71275395E-01 2.35925869E-01 1.71275395E-01 -5.88181403E-02 -5.88181403E-02 NPA Charges R N= 8 -1.89174124E+00 7.71677273E-01 -4.58722904E-01 7.71677273E-01 9.52878131E-01 7.71677273E-01 -4.58722904E-01 -4.58722904E-01 Optimization MaxStp I 100 Optimization MaxJob I 1 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 24 Optimization Reference Energy R -1.893000000000000E+03 Opt point 1 Results for each geome R N= 18 1.50601300E-01 0.00000000E+00 2.63632687E-02 0.00000000E+00 -3.94485930E-02 0.00000000E+00 -4.29767030E-02 0.00000000E+00 -4.48568161E-02 0.00000000E+00 -4.54834847E-02 0.00000000E+00 -4.57934806E-02 0.00000000E+00 -4.58573213E-02 0.00000000E+00 -4.58623208E-02 0.00000000E+00 Opt point 1 Geometries R N= 216 0.00000000E+00 0.00000000E+00 3.14401681E-02 0.00000000E+00 3.49101470E+00 -7.63779621E-01 0.00000000E+00 5.58835237E+00 -1.10437651E+00 3.02330741E+00 -1.74550735E+00 -7.63779621E-01 0.00000000E+00 0.00000000E+00 2.81683035E+00 -3.02330741E+00 -1.74550735E+00 -7.63779621E-01 4.83965512E+00 -2.79417618E+00 -1.10437651E+00 -4.83965512E+00 -2.79417618E+00 -1.10437651E+00 0.00000000E+00 0.00000000E+00 -2.68294016E-02 0.00000000E+00 3.44890484E+00 -8.03926089E-01 0.00000000E+00 5.55646612E+00 -1.14268436E+00 2.98683921E+00 -1.72445242E+00 -8.03926089E-01 0.00000000E+00 0.00000000E+00 3.04233277E+00 -2.98683921E+00 -1.72445242E+00 -8.03926089E-01 4.81204081E+00 -2.77823306E+00 -1.14268436E+00 -4.81204081E+00 -2.77823306E+00 -1.14268436E+00 0.00000000E+00 0.00000000E+00 -1.43061556E-01 0.00000000E+00 3.36447057E+00 -8.84558341E-01 0.00000000E+00 5.49247525E+00 -1.21955724E+00 2.91371698E+00 -1.68223528E+00 -8.84558341E-01 0.00000000E+00 0.00000000E+00 3.49364459E+00 -2.91371698E+00 -1.68223528E+00 -8.84558341E-01 4.75662310E+00 -2.74623762E+00 -1.21955724E+00 -4.75662310E+00 -2.74623762E+00 -1.21955724E+00 0.00000000E+00 0.00000000E+00 -1.83247212E-01 0.00000000E+00 3.39597302E+00 -8.05948153E-01 0.00000000E+00 5.50173115E+00 -1.20588251E+00 2.94099891E+00 -1.69798651E+00 -8.05948153E-01 0.00000000E+00 0.00000000E+00 3.44376246E+00 -2.94099891E+00 -1.69798651E+00 -8.05948153E-01 4.76463894E+00 -2.75086558E+00 -1.20588251E+00 -4.76463894E+00 -2.75086558E+00 -1.20588251E+00 0.00000000E+00 0.00000000E+00 -2.84552671E-01 0.00000000E+00 3.42264396E+00 -7.23986016E-01 0.00000000E+00 5.52772281E+00 -1.10195160E+00 2.96409661E+00 -1.71132198E+00 -7.23986016E-01 0.00000000E+00 0.00000000E+00 3.34835401E+00 -2.96409661E+00 -1.71132198E+00 -7.23986016E-01 4.78714838E+00 -2.76386141E+00 -1.10195160E+00 -4.78714838E+00 -2.76386141E+00 -1.10195160E+00 0.00000000E+00 0.00000000E+00 -3.70376679E-01 0.00000000E+00 3.43912466E+00 -6.94555337E-01 0.00000000E+00 5.55905959E+00 -9.88277983E-01 2.97836933E+00 -1.71956233E+00 -6.94555337E-01 0.00000000E+00 0.00000000E+00 3.27503295E+00 -2.97836933E+00 -1.71956233E+00 -6.94555337E-01 4.81428683E+00 -2.77952980E+00 -9.88277983E-01 -4.81428683E+00 -2.77952980E+00 -9.88277983E-01 0.00000000E+00 0.00000000E+00 -4.46013017E-01 0.00000000E+00 3.44553758E+00 -6.84490975E-01 0.00000000E+00 5.57956468E+00 -8.78278831E-01 2.98392308E+00 -1.72276879E+00 -6.84490975E-01 0.00000000E+00 0.00000000E+00 3.21399057E+00 -2.98392308E+00 -1.72276879E+00 -6.84490975E-01 4.83204475E+00 -2.78978234E+00 -8.78278831E-01 -4.83204475E+00 -2.78978234E+00 -8.78278831E-01 0.00000000E+00 0.00000000E+00 -4.66100375E-01 -4.13590306E-25 3.44369241E+00 -6.90997716E-01 -4.13590306E-25 5.58268440E+00 -8.43308058E-01 2.98232511E+00 -1.72184620E+00 -6.90997716E-01 0.00000000E+00 0.00000000E+00 3.19971157E+00 -2.98232511E+00 -1.72184620E+00 -6.90997716E-01 4.83474651E+00 -2.79134220E+00 -8.43308058E-01 -4.83474651E+00 -2.79134220E+00 -8.43308058E-01 0.00000000E+00 0.00000000E+00 -4.64769100E-01 0.00000000E+00 3.44240705E+00 -6.95466824E-01 0.00000000E+00 5.58217948E+00 -8.42306329E-01 2.98121196E+00 -1.72120353E+00 -6.95466824E-01 0.00000000E+00 0.00000000E+00 3.20126795E+00 -2.98121196E+00 -1.72120353E+00 -6.95466824E-01 4.83430924E+00 -2.79108974E+00 -8.42306329E-01 -4.83430924E+00 -2.79108974E+00 -8.42306329E-01 Opt point 1 Gradient at each geome R N= 216 1.72639680E-14 3.85247390E-14 6.16733368E-01 3.65853181E-15 3.19320120E-02 -7.57990642E-03 -2.48204235E-14 -1.65688809E-02 2.90294019E-03 2.76539336E-02 -1.59660060E-02 -7.57990642E-03 8.04911693E-15 -6.72795153E-14 -6.02702469E-01 -2.76539336E-02 -1.59660060E-02 -7.57990642E-03 -1.43490718E-02 8.28444045E-03 2.90294019E-03 1.43490718E-02 8.28444045E-03 2.90294019E-03 -9.99200722E-15 2.09665618E-13 3.04632296E-01 -3.59781649E-15 1.46208402E-02 -8.72508151E-03 1.70228415E-14 -4.83731142E-03 2.36628841E-03 1.26620191E-02 -7.31042012E-03 -8.72508151E-03 -3.83026943E-15 -2.07611706E-14 -2.85555917E-01 -1.26620191E-02 -7.31042012E-03 -8.72508151E-03 -4.18923458E-03 2.41865571E-03 2.36628841E-03 4.18923458E-03 2.41865571E-03 2.36628841E-03 -8.88178420E-15 -6.58362254E-14 2.08360101E-02 -3.23699401E-15 -2.10457147E-02 -9.82377038E-03 1.54772029E-14 1.64978487E-02 1.64911799E-03 -1.82261236E-02 1.05228574E-02 -9.82377038E-03 -2.05391260E-15 8.85402862E-15 3.68794707E-03 1.82261236E-02 1.05228574E-02 -9.82377038E-03 1.42875561E-02 -8.24892437E-03 1.64911799E-03 -1.42875561E-02 -8.24892437E-03 1.64911799E-03 -9.76996262E-15 4.02899936E-13 1.75784071E-02 -1.74513182E-15 -3.76036570E-03 -5.89417189E-03 1.79474491E-14 2.29347929E-03 7.58673165E-04 -3.25657222E-03 1.88018285E-03 -5.89417189E-03 -1.58206781E-15 -3.83026943E-15 -2.17191089E-03 3.25657222E-03 1.88018285E-03 -5.89417189E-03 1.98621133E-03 -1.14673964E-03 7.58673165E-04 -1.98621133E-03 -1.14673964E-03 7.58673165E-04 -1.37667655E-14 -1.73194792E-14 9.09675203E-03 -2.53096155E-15 5.55283355E-03 -1.11255470E-03 1.63254826E-14 -5.67070977E-03 -2.33134184E-04 4.80889491E-03 -2.77641677E-03 -1.11255470E-03 -2.60902411E-15 -1.52572399E-13 -5.05968536E-03 -4.80889491E-03 -2.77641677E-03 -1.11255470E-03 -4.91097872E-03 2.83535489E-03 -2.33134184E-04 4.91097872E-03 2.83535489E-03 -2.33134184E-04 -2.52020627E-14 6.27276009E-14 3.79004148E-03 -3.01668412E-15 5.60866800E-03 9.22549809E-04 1.58033309E-14 -4.78976556E-03 -8.11609965E-04 4.85724897E-03 -2.80433400E-03 9.22549809E-04 -7.49400542E-15 -2.96984659E-15 -4.12286101E-03 -4.85724897E-03 -2.80433400E-03 9.22549809E-04 -4.14805866E-03 2.39488278E-03 -8.11609965E-04 4.14805865E-03 2.39488278E-03 -8.11609965E-04 -1.26010313E-14 -7.37188088E-14 -1.82389822E-04 -2.08687234E-15 3.02016055E-03 1.30521427E-03 1.62682368E-14 -2.28526891E-03 -6.57159864E-04 2.61553576E-03 -1.51008027E-03 1.30521427E-03 -4.10782519E-15 -8.52096171E-15 -1.76177340E-03 -2.61553576E-03 -1.51008027E-03 1.30521427E-03 -1.97910093E-03 1.14263446E-03 -6.57159864E-04 1.97910093E-03 1.14263446E-03 -6.57159864E-04 -1.36002321E-14 6.94999613E-14 -6.44411015E-04 -3.56659147E-15 7.22212108E-04 4.53046471E-04 1.90819582E-14 -5.31354323E-04 -1.84600385E-04 6.25454033E-04 -3.61106054E-04 4.53046471E-04 2.22044605E-16 4.21052082E-14 -1.60927243E-04 -6.25454033E-04 -3.61106054E-04 4.53046471E-04 -4.60166342E-04 2.65677161E-04 -1.84600385E-04 4.60166342E-04 2.65677161E-04 -1.84600385E-04 -2.07611706E-14 -7.21644966E-15 -2.02447210E-04 -1.81105131E-15 1.14655044E-05 1.73007750E-05 1.65232411E-14 -1.52532041E-05 -6.72359096E-06 9.92941834E-06 -5.73275219E-06 1.73007750E-05 -3.10862447E-15 1.69864123E-14 1.70715658E-04 -9.92941835E-06 -5.73275219E-06 1.73007750E-05 -1.32096624E-05 7.62660208E-06 -6.72359096E-06 1.32096622E-05 7.62660204E-06 -6.72359098E-06 Optimization Number of geometries I N= 1 9 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= 8 1 1 1 1 1 1 1 1 Atom Modifiers I N= 8 0 0 0 0 0 0 0 0 Int Atom Modified Types I N= 8 0 0 0 0 0 0 0 0 Force Field I 0 Atom Modified Types C N= 8 Link Atoms I N= 8 0 0 0 0 0 0 0 0 Atom Modified MM Charges R N= 8 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Link Distances R N= 32 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Cartesian Gradient R N= 24 -2.07611706E-14 -7.21644966E-15 -2.02447210E-04 -1.81104876E-15 1.14655044E-05 1.73007750E-05 1.65232377E-14 -1.52532041E-05 -6.72359096E-06 9.92941834E-06 -5.73275219E-06 1.73007750E-05 -3.10862447E-15 1.69864123E-14 1.70715658E-04 -9.92941835E-06 -5.73275219E-06 1.73007750E-05 -1.32096624E-05 7.62660208E-06 -6.72359096E-06 1.32096622E-05 7.62660204E-06 -6.72359098E-06 Nonadiabatic coupling 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 Dipole Moment R N= 3 -4.21884749E-15 5.55111512E-15 3.75035862E-01 Quadrupole Moment R N= 6 -2.61371431E+00 -2.61371431E+00 5.22742863E+00 1.50990331E-14 -2.22044605E-15 1.97619698E-14 QEq coupling tensors R N= 48 9.98815998E-01 -2.98847752E-12 9.98815998E-01 -7.89722454E-13 9.78628636E-13 -1.99763200E+00 -3.57260724E-01 -1.11022302E-16 7.96529685E-01 -2.60208521E-18 -3.79805070E-02 -4.39268961E-01 -3.18659871E-02 -5.89805982E-17 4.80766132E-01 2.42861287E-17 -5.36160287E-02 -4.48900145E-01 5.08082083E-01 -4.99605902E-01 -6.88131215E-02 -3.28920839E-02 1.89902535E-02 -4.39268961E-01 -5.52050532E-01 9.81749404E-14 -5.52050532E-01 1.66016506E-13 1.33344377E-12 1.10410106E+00 5.08082083E-01 4.99605902E-01 -6.88131215E-02 3.28920839E-02 1.89902535E-02 -4.39268961E-01 3.52608102E-01 -2.21976219E-01 9.62920426E-02 -4.64328429E-02 2.68080143E-02 -4.48900145E-01 3.52608102E-01 2.21976219E-01 9.62920426E-02 4.64328429E-02 2.68080143E-02 -4.48900145E-01 ClPar MaxAn I 200 ClPar NIntPar I 4 ClPar NRealPar I 16 ClPar NBits I 30 ClPar LenBitVec I 1 ClPar Read BitMap I N= 200 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 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 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 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 0 0 0 0 0 0 0 0 0 0 0 0 ClPar Default BitMap I N= 200 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 2016 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 480 ClPar Int Params I N= 800 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 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 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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 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 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 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 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 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 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 2.26000000E-01 4.43000000E-01 1.01000000E-01 1.47000000E-01 1.92000000E-01 2.40000000E-01 2.75000000E-01 3.03000000E-01 3.25000000E-01 4.13000000E-01 9.60000000E-02 1.35000000E-01 1.73000000E-01 2.11000000E-01 2.48000000E-01 2.86000000E-01 3.23000000E-01 3.60000000E-01 8.20000000E-02 1.04000000E-01 1.17000000E-01 1.23000000E-01 1.29000000E-01 1.34000000E-01 1.40000000E-01 1.44000000E-01 1.48000000E-01 1.52000000E-01 1.55000000E-01 1.76000000E-01 1.98000000E-01 2.19000000E-01 2.39000000E-01 2.60000000E-01 2.80000000E-01 3.00000000E-01 7.90000000E-02 9.90000000E-02 1.19000000E-01 1.26000000E-01 1.33000000E-01 1.40000000E-01 1.47000000E-01 1.53000000E-01 1.58000000E-01 1.63000000E-01 1.57000000E-01 1.70000000E-01 1.87000000E-01 2.03000000E-01 2.19000000E-01 2.34000000E-01 2.50000000E-01 2.65000000E-01 7.40000000E-02 9.20000000E-02 1.05000000E-01 1.06000000E-01 1.07000000E-01 1.08000000E-01 1.09000000E-01 1.10000000E-01 1.11000000E-01 1.12000000E-01 1.13000000E-01 1.14000000E-01 1.15000000E-01 1.16000000E-01 1.17000000E-01 1.17000000E-01 1.26000000E-01 1.36000000E-01 1.46000000E-01 1.55000000E-01 1.65000000E-01 1.73000000E-01 1.82000000E-01 1.90000000E-01 1.62000000E-01 1.78000000E-01 1.10000000E-01 1.35000000E-01 1.59000000E-01 1.83000000E-01 2.07000000E-01 2.31000000E-01 6.90000000E-02 9.40000000E-02 1.02000000E-01 1.03000000E-01 1.05000000E-01 1.07000000E-01 1.09000000E-01 1.11000000E-01 1.13000000E-01 1.15000000E-01 1.17000000E-01 1.19000000E-01 1.20000000E-01 1.22000000E-01 1.24000000E-01 1.26000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 1.28000000E-01 5.47000000E-01 5.92000000E-01 5.99000000E-01 6.68000000E-01 6.98000000E-01 7.18000000E-01 7.26000000E-01 7.36000000E-01 7.43000000E-01 7.45000000E-01 6.07000000E-01 6.66000000E-01 6.93000000E-01 7.09000000E-01 7.20000000E-01 7.29000000E-01 7.35000000E-01 7.40000000E-01 6.08000000E-01 7.34000000E-01 7.46000000E-01 7.55000000E-01 7.61000000E-01 7.65000000E-01 7.67000000E-01 7.60000000E-01 7.49000000E-01 7.33000000E-01 7.08000000E-01 6.48000000E-01 6.88000000E-01 7.09000000E-01 7.22000000E-01 7.31000000E-01 7.38000000E-01 7.44000000E-01 6.09000000E-01 7.30000000E-01 7.41000000E-01 7.52000000E-01 7.58000000E-01 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