FUZHUD Freq RM062X def2TZVPP Number of atoms I 10 Info1-9 I N= 9 23 22 1002 0 0 100 6 18 -5502 Full Title C N= 1 FUZHUD Route C N= 4 # opt freq pop=savenbos def2tzvpp m062x Charge I 0 Multiplicity I 1 Number of electrons I 88 Number of alpha electrons I 44 Number of beta electrons I 44 Number of basis functions I 343 Number of independent functions I 343 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Atomic numbers I N= 10 26 6 8 6 6 6 8 8 7 7 Nuclear charges R N= 10 2.60000000E+01 6.00000000E+00 8.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 8.00000000E+00 8.00000000E+00 7.00000000E+00 7.00000000E+00 Current cartesian coordinates R N= 30 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 Number of symbols in /Mol/ I 0 Int Atom Types I N= 10 0 0 0 0 0 0 0 0 0 0 Force Field I 0 Atom Types C N= 10 MM charges R N= 10 0.00000000E+00 0.00000000E+00 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= 10 56 12 16 12 12 12 16 16 14 14 Real atomic weights R N= 10 5.59349393E+01 1.20000000E+01 1.59949146E+01 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.59949146E+01 1.59949146E+01 1.40030740E+01 1.40030740E+01 Atom fragment info I N= 10 0 0 0 0 0 0 0 0 0 0 Atom residue num I N= 10 0 0 0 0 0 0 0 0 0 0 Nuclear spins I N= 10 0 0 0 0 0 0 0 0 2 2 Nuclear ZEff R N= 10 -2.52200000E+01 -3.60000000E+00 -5.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -5.60000000E+00 -5.60000000E+00 -4.55000000E+00 -4.55000000E+00 Nuclear ZNuc R N= 10 2.60000000E+01 6.00000000E+00 8.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 8.00000000E+00 8.00000000E+00 7.00000000E+00 7.00000000E+00 Nuclear QMom R N= 10 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.04400000E+00 2.04400000E+00 Nuclear GFac R N= 10 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.03761000E-01 4.03761000E-01 MicOpt I N= 10 -1 -1 -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 29 9 16 4 Redundant internal coordinate indices I N= 116 1 2 0 0 1 4 0 0 1 5 0 0 1 6 0 0 2 3 0 0 4 7 0 0 5 9 0 0 6 8 0 0 9 10 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 -101 1 4 7 -101 1 5 9 -31 1 6 8 -101 5 9 10 -31 1 2 3 -102 1 4 7 -102 1 5 9 -32 1 6 8 -102 5 9 10 -32 2 1 5 4 2 1 6 4 2 1 6 5 4 1 6 5 Redundant internal coordinates R N= 29 3.53342658E+00 3.53342658E+00 3.25010268E+00 3.53342658E+00 2.12554154E+00 2.12554154E+00 2.43463338E+00 2.12554154E+00 2.12348629E+00 1.68586554E+00 2.10220032E+00 1.68586554E+00 2.10220032E+00 1.68586554E+00 2.10220032E+00 3.07241125E+00 3.07241125E+00 3.14159265E+00 3.07241125E+00 3.14159265E+00 3.14159265E+00 3.14159266E+00 3.14159265E+00 3.14159266E+00 3.14159265E+00 -2.09439510E+00 1.70087073E+00 -2.29115729E+00 2.29115729E+00 ZRed-IntVec I N= 29 0 0 0 0 0 0 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= 29 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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= 29 3.53342658E+00 3.53342658E+00 3.25010268E+00 3.53342658E+00 2.12554154E+00 2.12554154E+00 2.43463338E+00 2.12554154E+00 2.12348629E+00 1.68586554E+00 2.10220032E+00 1.68586554E+00 2.10220032E+00 1.68586554E+00 2.10220032E+00 3.07241125E+00 3.07241125E+00 3.14159265E+00 3.07241125E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 3.14159266E+00 3.14159265E+00 -2.09439510E+00 1.70087073E+00 -2.29115729E+00 2.29115729E+00 ZRed-Constraint2 R N= 29 3.56308943E+00 3.56308943E+00 2.79821196E+00 3.56308943E+00 2.12821531E+00 2.12821533E+00 2.77789740E+00 2.12821533E+00 2.64561657E+00 2.02069667E+00 1.78069970E+00 2.02069667E+00 1.78069970E+00 2.02069666E+00 1.78069970E+00 3.05299592E+00 3.05299592E+00 3.14159265E+00 3.05299592E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 3.14159265E+00 -2.09439510E+00 2.44888943E+00 -1.91714794E+00 1.91714794E+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 1.71941539E-09 0.00000000E+00 1.71941539E-09 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.00000000E+00 3.58161011E-15 -1.71793375E-09 1.51141572E-01 Number of contracted shells I 117 Number of primitive shells I 219 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= 117 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 -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 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= 117 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 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 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= 117 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 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 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 Primitive exponents R N= 219 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 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 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 1.97308006E+04 2.95789587E+03 6.73221336E+02 1.90682495E+02 6.22954419E+01 2.26541612E+01 8.97914774E+00 3.68630024E+00 8.46600768E-01 3.36471338E-01 1.36476537E-01 4.92003805E+01 1.13467905E+01 3.42739724E+00 1.17855251E+00 4.16422050E-01 1.42608260E-01 1.65400000E+00 4.69000000E-01 1.09300000E+00 1.97308006E+04 2.95789587E+03 6.73221336E+02 1.90682495E+02 6.22954419E+01 2.26541612E+01 8.97914774E+00 3.68630024E+00 8.46600768E-01 3.36471338E-01 1.36476537E-01 4.92003805E+01 1.13467905E+01 3.42739724E+00 1.17855251E+00 4.16422050E-01 1.42608260E-01 1.65400000E+00 4.69000000E-01 1.09300000E+00 Contraction coefficients R N= 219 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 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 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 5.86264026E-04 4.54288206E-03 2.35584135E-02 9.47091933E-02 2.97197849E-01 6.69162469E-01 6.45966836E-01 3.87005744E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.14488251E-02 7.84223380E-02 3.08180947E-01 7.20271964E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 5.86264026E-04 4.54288206E-03 2.35584135E-02 9.47091933E-02 2.97197849E-01 6.69162469E-01 6.45966836E-01 3.87005744E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.14488251E-02 7.84223380E-02 3.08180947E-01 7.20271964E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 Coordinates of each shell R N= 351 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 Num ILSW I 100 ILSW I N= 100 0 0 0 0 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= 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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= 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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= 10 0 0 0 0 0 0 0 0 0 0 ECP-LPSkip I N= 10 1 1 1 1 1 1 1 1 1 1 ECP-RNFroz R N= 10 0.00000000E+00 0.00000000E+00 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= 10 4 2 1 2 2 2 1 1 2 1 IBond I N= 40 2 4 5 6 1 3 0 0 2 0 0 0 1 7 0 0 1 9 0 0 1 8 0 0 4 0 0 0 6 0 0 0 5 10 0 0 9 0 0 0 RBond R N= 40 1.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Virial Ratio R 2.002126667483675E+00 SCF Energy R -1.751129537794535E+03 Total Energy R -1.751129537794535E+03 RMS Force R 4.325563183983072E-05 RMS Density R 5.334955754800148E-09 NImag I 0 Job Status I 1 Nuclear derivative order I 2 Thermal Energy R -1.751080740886532E+03 Thermal Enthalpy R -1.751079796701719E+03 Thermal Free Energy R -1.751132626476331E+03 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= 343 -2.51459353E+02 -3.56863915E+01 -2.64625331E+01 -2.64525904E+01 -2.64525904E+01 -1.94436393E+01 -1.94436393E+01 -1.94436393E+01 -1.46974365E+01 -1.45947782E+01 -1.05446992E+01 -1.05446992E+01 -1.05446992E+01 -1.04010706E+01 -5.02876603E+00 -2.48677146E+00 -2.48428753E+00 -2.48428753E+00 -1.33046702E+00 -1.29001360E+00 -1.29001360E+00 -1.29001360E+00 -1.07602933E+00 -8.85783606E-01 -8.85783605E-01 -8.85783605E-01 -7.23271706E-01 -7.23271706E-01 -7.23271706E-01 -7.02069269E-01 -6.87729244E-01 -6.87729244E-01 -6.87729244E-01 -6.26071210E-01 -5.76374335E-01 -5.76374335E-01 -5.76374335E-01 -5.33081237E-01 -5.33081237E-01 -3.79219183E-01 -3.76781249E-01 -3.76781249E-01 -2.14110865E-01 -2.14110865E-01 3.33513790E-02 3.33513790E-02 5.77452976E-02 5.77452976E-02 5.77452976E-02 1.20345172E-01 1.20345172E-01 1.86839601E-01 1.86839601E-01 1.86839601E-01 3.74661754E-01 3.74661754E-01 3.74661754E-01 4.78690979E-01 5.97667084E-01 6.70641172E-01 6.70641172E-01 6.70641172E-01 9.05125835E-01 8.21267252E-01 8.21267252E-01 8.32978326E-01 8.32978326E-01 8.32978326E-01 8.50702603E-01 8.50702603E-01 8.71519875E-01 8.71519875E-01 8.71519875E-01 8.74325975E-01 9.24344815E-01 9.24344815E-01 9.24344815E-01 9.86883560E-01 9.86883560E-01 9.93235828E-01 9.93235828E-01 9.93235828E-01 1.01952655E+00 1.01952655E+00 1.02839164E+00 1.02839164E+00 1.02839164E+00 1.03748469E+00 1.10093801E+00 1.10597517E+00 1.13342418E+00 1.13342418E+00 1.14160803E+00 1.16104528E+00 1.18330927E+00 1.18330928E+00 1.19636166E+00 1.24604688E+00 1.24604688E+00 1.24604688E+00 1.27678885E+00 1.34017373E+00 1.34017373E+00 1.34017373E+00 1.38960266E+00 1.41257206E+00 1.41257206E+00 1.44639866E+00 1.44639866E+00 1.44639874E+00 1.47438413E+00 1.47438413E+00 1.51704933E+00 1.51776498E+00 1.52686846E+00 1.52686846E+00 1.52686846E+00 1.55380013E+00 1.57089568E+00 1.57089568E+00 1.59018123E+00 1.63429845E+00 1.63888447E+00 1.64441537E+00 1.64441537E+00 1.64441537E+00 1.65017781E+00 1.65017781E+00 1.67156925E+00 1.69278564E+00 1.69278564E+00 1.70218581E+00 1.72342432E+00 1.72342433E+00 1.74157849E+00 1.75722084E+00 1.75722084E+00 1.80436605E+00 1.80436605E+00 1.84192022E+00 1.84192022E+00 1.85520697E+00 1.85520698E+00 1.86093456E+00 1.87754496E+00 1.87754496E+00 1.89086428E+00 1.89086428E+00 1.99659633E+00 2.03051941E+00 2.18457644E+00 2.18501801E+00 2.18506414E+00 2.22684440E+00 2.27370088E+00 2.28999930E+00 2.32510004E+00 2.32748004E+00 2.32748004E+00 2.32765669E+00 2.33629453E+00 2.35536244E+00 2.36953011E+00 2.37649313E+00 2.38769015E+00 2.39818831E+00 2.40789528E+00 2.44718675E+00 2.47452494E+00 2.47452494E+00 2.48814228E+00 2.53623269E+00 2.57188599E+00 2.57188600E+00 2.57826958E+00 2.58521639E+00 2.58598779E+00 2.58666081E+00 2.61580802E+00 2.65154738E+00 2.65610002E+00 2.65610002E+00 2.66578134E+00 2.66578134E+00 2.66578134E+00 2.66716320E+00 2.69562832E+00 2.69707273E+00 2.69792964E+00 2.71256557E+00 2.71815172E+00 2.72109332E+00 2.72285231E+00 2.72455770E+00 2.73188711E+00 2.74164767E+00 2.75186167E+00 2.77594938E+00 2.77594938E+00 2.77594938E+00 2.80190587E+00 2.80190587E+00 2.80303681E+00 2.80525963E+00 2.84412121E+00 2.88177471E+00 2.88409003E+00 2.88661724E+00 2.88661724E+00 2.89806340E+00 2.91491042E+00 2.91491042E+00 2.93440108E+00 2.93870727E+00 2.99748901E+00 2.99748901E+00 3.00516972E+00 3.00516973E+00 3.06099036E+00 3.06535437E+00 3.06535437E+00 3.07918787E+00 3.07918788E+00 3.12218847E+00 3.13426495E+00 3.13557901E+00 3.13557902E+00 3.19266711E+00 3.26091231E+00 3.31928022E+00 3.31928022E+00 3.31955882E+00 3.31955883E+00 3.32073955E+00 3.38006520E+00 3.39300819E+00 3.39300819E+00 3.39315555E+00 3.39315558E+00 3.43690842E+00 3.45263057E+00 3.45946261E+00 3.45946261E+00 3.47168527E+00 3.47168527E+00 3.51741861E+00 3.51741862E+00 3.53866112E+00 3.55932452E+00 3.61900513E+00 3.61908777E+00 3.62603158E+00 3.66556202E+00 3.66556202E+00 3.66556202E+00 3.67670090E+00 3.68233743E+00 3.68237014E+00 3.82438006E+00 3.82438067E+00 3.87495701E+00 3.87495706E+00 3.94675908E+00 3.95162262E+00 4.04040047E+00 4.08829914E+00 4.08829914E+00 4.10141637E+00 4.15940025E+00 4.15940025E+00 4.29925332E+00 4.29925332E+00 4.32514474E+00 4.32514481E+00 4.59716749E+00 4.69172449E+00 4.69172449E+00 5.10699043E+00 5.12869087E+00 5.16349963E+00 5.24908075E+00 5.27143755E+00 5.27143755E+00 5.39728734E+00 5.39728734E+00 5.39752965E+00 5.40709675E+00 5.46399026E+00 5.46399026E+00 5.48762397E+00 5.48762397E+00 5.49969468E+00 5.50515901E+00 5.50515901E+00 5.57069369E+00 5.57069369E+00 5.59559766E+00 5.59559766E+00 5.59563174E+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 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0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.36940707E-02 0.00000000E+00 0.00000000E+00 -2.11481797E-01 0.00000000E+00 0.00000000E+00 9.78638932E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.85774115E-02 0.00000000E+00 0.00000000E+00 2.83862923E-02 0.00000000E+00 -7.38670959E-02 0.00000000E+00 0.00000000E+00 -7.52540691E-02 0.00000000E+00 -9.77283538E-04 0.00000000E+00 0.00000000E+00 4.61219018E-03 -4.82486517E-03 0.00000000E+00 4.61489187E-02 -1.28931441E-01 8.79586388E-01 -2.78684121E+00 4.26603053E+01 -1.51810090E-03 -5.70703360E-02 -1.22261174E-02 -8.85219480E-01 -2.01016375E-01 5.50668783E-01 1.20605945E+01 9.01839122E+00 -1.00727619E+01 4.09002912E-02 6.73271192E-02 6.10788538E-02 -2.72328499E-03 -4.62704731E-02 -1.43291550E-01 -3.94653169E-01 -2.66454118E-01 9.90747543E-02 2.61223996E-01 -2.39709863E-02 -1.54264125E-02 -3.37823573E-02 1.26096186E-02 7.58325278E-03 3.44129983E-02 -2.31661393E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.31857276E-02 0.00000000E+00 0.00000000E+00 1.24343869E-01 0.00000000E+00 0.00000000E+00 -3.59728594E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.23049306E-04 0.00000000E+00 0.00000000E+00 -1.84412410E-01 0.00000000E+00 -1.71276049E-02 0.00000000E+00 0.00000000E+00 5.93037969E-01 0.00000000E+00 -8.77781600E-04 0.00000000E+00 0.00000000E+00 1.45114503E-02 7.97680328E-16 0.00000000E+00 -4.61489187E-02 1.28931441E-01 -8.79586388E-01 2.78684121E+00 -4.26603053E+01 -1.51810090E-03 5.70703360E-02 1.22261174E-02 -8.85219480E-01 2.01016375E-01 -5.50668783E-01 1.20605945E+01 -9.01839122E+00 1.00727619E+01 -4.09002912E-02 6.73271192E-02 -6.10788538E-02 2.72328499E-03 -4.62704731E-02 1.43291550E-01 -3.94653169E-01 2.66454118E-01 -9.90747543E-02 2.61223996E-01 2.39709863E-02 -1.54264125E-02 3.37823573E-02 -1.26096186E-02 7.58325278E-03 3.44129983E-02 2.31661393E-02 5.52138034E-03 -1.54009493E-02 1.00474273E-01 -5.36250730E-01 4.12357657E-01 -1.30323652E-02 -3.27510231E-02 7.34353224E-02 -8.51763838E-02 7.29224644E-02 -2.49689613E-01 -1.15784528E+00 -1.23349974E+00 1.56363353E+00 -1.24728126E-02 -4.40298519E-02 -4.19198231E-02 8.00532392E-03 4.22519201E-02 6.42556366E-02 1.42690618E-01 1.25029654E-01 -4.56633373E-02 -1.54345289E-01 -8.90496895E-03 8.08475864E-03 5.23197249E-03 1.59760356E-03 7.37932072E-03 2.41243258E-03 -7.28949639E-03 -5.52138034E-03 1.54009493E-02 -1.00474273E-01 5.36250730E-01 -4.12357657E-01 -1.30323652E-02 3.27510231E-02 -7.34353224E-02 -8.51763838E-02 -7.29224644E-02 2.49689613E-01 -1.15784528E+00 1.23349974E+00 -1.56363353E+00 1.24728126E-02 -4.40298519E-02 4.19198231E-02 -8.00532392E-03 4.22519201E-02 -6.42556366E-02 1.42690618E-01 -1.25029654E-01 4.56633373E-02 -1.54345289E-01 8.90496895E-03 8.08475864E-03 -5.23197249E-03 -1.59760356E-03 7.37932072E-03 2.41243258E-03 7.28949639E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.03232205E-02 0.00000000E+00 0.00000000E+00 3.09913731E-02 0.00000000E+00 0.00000000E+00 1.07543721E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -5.48921953E-03 0.00000000E+00 0.00000000E+00 -6.94907500E-03 0.00000000E+00 -6.93107040E-04 0.00000000E+00 0.00000000E+00 -2.09686276E-02 0.00000000E+00 1.17461382E-03 0.00000000E+00 0.00000000E+00 -3.16231916E-02 -7.36805441E-15 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.93672362E-03 0.00000000E+00 0.00000000E+00 -1.19827890E-02 0.00000000E+00 0.00000000E+00 -3.62668952E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.40108964E-03 0.00000000E+00 0.00000000E+00 -8.41186034E-03 0.00000000E+00 -1.90546764E-02 0.00000000E+00 0.00000000E+00 1.52665671E-02 0.00000000E+00 -4.37363262E-03 0.00000000E+00 0.00000000E+00 -3.77715624E-03 1.08388016E-14 0.00000000E+00 Total SCF Density R N= 58996 2.21715728E+00 -7.49383856E-01 2.58382537E+00 1.20781111E-01 -5.14413728E-01 8.70460508E-01 1.35478960E-01 -4.96842776E-01 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-2.40706336E-03 5.34845612E-03 3.90288973E-03 9.68559732E-03 2.20719607E-03 -5.67963428E-03 -3.80922375E-03 -7.52149218E-04 2.74882476E-03 4.59658434E-03 -1.05810203E-03 -1.16628999E-03 7.63353637E-03 1.24612841E-02 2.82071871E-03 -2.76254960E-03 1.31744232E-03 5.87679391E-04 1.83777142E-03 -2.17142868E-03 1.69035807E-03 4.12755311E-04 -6.30560908E-04 -6.46963333E-03 5.97450597E-03 -1.63491361E-02 2.69108084E-03 8.20419861E-03 2.41183139E-03 -3.89636391E-03 -5.34735878E-03 8.58073647E-03 -2.21111367E-03 -4.65026544E-03 -7.56139221E-04 -3.80997279E-03 3.96171109E-03 4.59514386E-03 -1.96083239E-03 1.16267833E-03 -7.64074598E-03 4.82774775E-03 1.24684937E-02 Mulliken Charges R N= 10 9.02687777E-02 1.10599745E-01 -8.87678680E-04 1.10599745E-01 -4.76776989E-01 1.10599745E-01 -8.87678680E-04 -8.87678680E-04 1.93784052E-01 -1.36412040E-01 NPA Charges R N= 10 -1.12079333E+00 8.45459409E-01 -4.25147563E-01 8.45459409E-01 -1.69366570E-01 8.45459409E-01 -4.25147563E-01 -4.25147563E-01 2.17941744E-02 7.43018293E-03 Optimization MaxStp I 2 Optimization MaxJob I 1 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 30 Optimization Reference Energy R -1.751000000000000E+03 Opt point 1 Results for each geome R N= 2 -1.29537795E-01 0.00000000E+00 Opt point 1 Geometries R N= 30 0.00000000E+00 0.00000000E+00 1.81816316E-01 0.00000000E+00 3.04615453E+00 1.97235981E+00 0.00000000E+00 4.94864934E+00 2.92022074E+00 -2.63804721E+00 -1.52307727E+00 1.97235981E+00 0.00000000E+00 0.00000000E+00 -3.06828636E+00 2.63804721E+00 -1.52307727E+00 1.97235981E+00 -4.28565604E+00 -2.47432467E+00 2.92022074E+00 4.28565604E+00 -2.47432467E+00 2.92022074E+00 0.00000000E+00 0.00000000E+00 -5.50291974E+00 0.00000000E+00 0.00000000E+00 -7.62640603E+00 Opt point 1 Gradient at each geome R N= 30 1.16150997E-14 3.82566539E-14 6.43981746E-05 -7.06996793E-16 -9.41236763E-05 -4.45998516E-05 6.03915181E-15 6.47645252E-05 2.45483824E-05 8.15134948E-05 4.70618382E-05 -4.45998516E-05 -3.75888595E-17 3.81009842E-16 -5.76203753E-05 -8.15134948E-05 4.70618381E-05 -4.45998516E-05 -5.60877242E-05 -3.23822625E-05 2.45483822E-05 5.60877242E-05 -3.23822625E-05 2.45483822E-05 5.22337030E-16 -7.77330011E-16 3.90026627E-05 -8.17195448E-17 5.53426245E-17 1.43739457E-05 Optimization Number of geometries I N= 1 1 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= 10 1 1 1 1 1 1 1 1 1 1 Atom Modifiers I N= 10 0 0 0 0 0 0 0 0 0 0 Int Atom Modified Types I N= 10 0 0 0 0 0 0 0 0 0 0 Force Field I 0 Atom Modified Types C N= 10 Link Atoms I N= 10 0 0 0 0 0 0 0 0 0 0 Atom Modified MM Charges R N= 10 0.00000000E+00 0.00000000E+00 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= 40 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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= 30 1.16150997E-14 3.82566539E-14 6.43981746E-05 -7.06996793E-16 -9.41236763E-05 -4.45998516E-05 6.03915181E-15 6.47645252E-05 2.45483824E-05 8.15134948E-05 4.70618382E-05 -4.45998516E-05 -3.75888595E-17 3.81009842E-16 -5.76203753E-05 -8.15134948E-05 4.70618381E-05 -4.45998516E-05 -5.60877242E-05 -3.23822625E-05 2.45483822E-05 5.60877242E-05 -3.23822625E-05 2.45483822E-05 5.22337030E-16 -7.77330011E-16 3.90026627E-05 -8.17195448E-17 5.53426245E-17 1.43739457E-05 Cartesian Force Constants R N= 465 2.03490983E-01 -2.28885081E-13 2.03494651E-01 -1.05859721E-13 1.81566947E-05 4.45289099E-01 -4.50712580E-02 1.22837694E-14 1.86081814E-13 6.93411023E-02 -9.23012240E-14 -4.40996459E-02 -1.67703445E-02 1.40060942E-13 1.06528495E+00 1.54707975E-13 -1.53146957E-02 -6.33795784E-02 -1.87090329E-13 4.93296207E-01 3.20096990E-01 1.44232218E-02 8.42765954E-15 -1.31217372E-13 -3.11365795E-02 4.19229101E-14 2.19458143E-14 1.66274910E-02 8.72414356E-14 -4.05860370E-02 -1.35756151E-02 -7.60908877E-14 -1.01074464E+00 -4.84701070E-01 -1.34085975E-14 1.04208046E+00 -8.73981318E-14 -2.73319307E-02 7.87474465E-03 -2.55387749E-14 -4.84640342E-01 -2.74169927E-01 5.93144338E-14 5.09862791E-01 2.71820693E-01 -4.43645029E-02 4.63244372E-04 1.45191222E-02 4.94141264E-04 -1.17107997E-02 -9.42955747E-04 1.08848805E-03 1.03134752E-02 2.62654140E-03 8.16298988E-01 5.01928892E-04 -4.48570208E-02 8.38147317E-03 -1.61319970E-02 -1.55809049E-02 6.70505152E-03 4.24949615E-03 8.35381787E-03 2.43924242E-04 4.31256336E-01 3.18327064E-01 1.32624355E-02 7.63773198E-03 -6.33915792E-02 -6.27822283E-03 -2.53590213E-03 1.20519019E-02 4.74089674E-04 -2.92084322E-03 -3.63898480E-03 -4.27207047E-01 -2.46648104E-01 3.20096990E-01 -4.57456510E-02 -8.97150055E-14 1.89047688E-13 5.87744824E-03 -1.62993609E-14 -1.51177023E-14 -8.97863454E-04 3.59857401E-14 1.36097044E-14 3.06047016E-03 -1.59614017E-03 1.68970940E-02 7.70086636E-02 -1.18729430E-13 -4.57445809E-02 -1.43820327E-05 -1.58280333E-14 2.13710627E-03 -1.95593533E-02 8.07873177E-15 2.68990053E-03 8.07284689E-03 -1.60484971E-03 4.94334282E-03 9.77363372E-03 1.20569625E-13 7.69891316E-02 2.13634536E-13 4.70381107E-05 -2.41365052E-01 -2.49529823E-14 2.05696060E-02 7.61221988E-03 1.46497955E-14 -1.45461011E-02 -4.79410821E-03 -1.78343786E-02 -1.03053795E-02 7.60870177E-03 -1.93492760E-13 1.67954264E-05 6.90451755E-01 -4.43645029E-02 -4.63244371E-04 -1.45191222E-02 4.94141264E-04 1.17107997E-02 9.42955747E-04 1.08848805E-03 -1.03134752E-02 -2.62654140E-03 -2.36184280E-02 2.21059868E-03 -5.33526708E-03 3.06047016E-03 1.60484971E-03 1.78343786E-02 8.16298988E-01 -5.01928892E-04 -4.48570208E-02 8.38147317E-03 1.61319970E-02 -1.55809049E-02 6.70505152E-03 -4.24949615E-03 8.35381787E-03 2.43924242E-04 -2.21059868E-03 8.53166434E-03 -4.16914939E-03 1.59614017E-03 4.94334282E-03 -1.03053795E-02 -4.31256336E-01 3.18327064E-01 -1.32624355E-02 7.63773198E-03 -6.33915792E-02 6.27822283E-03 -2.53590213E-03 1.20519019E-02 -4.74089674E-04 -2.92084322E-03 -3.63898480E-03 5.33526708E-03 -4.16914939E-03 1.20519019E-02 -1.68970940E-02 9.77363372E-03 7.60870177E-03 4.27207047E-01 -2.46648104E-01 3.20096990E-01 -2.68358326E-02 -2.38294697E-02 1.17598175E-02 2.31533836E-04 9.81871247E-03 2.76656926E-03 -3.25724869E-04 -7.02581928E-03 -2.69596887E-03 -7.65842626E-01 -4.24182734E-01 4.19763440E-01 1.80032648E-03 1.54719824E-03 1.26049154E-02 1.28434370E-02 -3.52675227E-03 2.29247959E-03 7.85717216E-01 -2.38379092E-02 6.71823822E-04 6.79045923E-03 3.75473341E-03 9.21077208E-03 1.04984791E-03 -1.02929871E-03 -4.97634941E-03 -1.49104071E-03 -4.24182734E-01 -2.76038595E-01 2.42350535E-01 1.54790539E-03 -3.43574627E-07 7.27951272E-03 2.53722679E-03 -3.40113108E-03 1.87099531E-03 4.44034160E-01 2.72990733E-01 2.36683522E-02 1.36718473E-02 7.87891567E-03 1.10202611E-03 -2.39661370E-03 -3.63898480E-03 -5.67052965E-05 3.08029788E-03 1.93237348E-03 4.19710848E-01 2.42320171E-01 -2.74169927E-01 -6.97808414E-03 -4.03266680E-03 -4.79573225E-03 -1.52451529E-03 2.15268946E-03 -3.63898480E-03 -4.41554129E-01 -2.54931395E-01 2.71820693E-01 -2.68358326E-02 2.38294697E-02 -1.17598175E-02 2.31533836E-04 -9.81871247E-03 -2.76656926E-03 -3.25724869E-04 7.02581928E-03 2.69596887E-03 1.28434370E-02 3.52675227E-03 -2.29247959E-03 1.80032648E-03 -1.54719824E-03 -1.26049154E-02 -7.65842626E-01 4.24182734E-01 -4.19763440E-01 -7.30166168E-03 -2.99826028E-03 2.63926357E-03 7.85717216E-01 2.38379092E-02 6.71823822E-04 6.79045923E-03 -3.75473341E-03 9.21077208E-03 1.04984791E-03 1.02929871E-03 -4.97634941E-03 -1.49104071E-03 -2.53722679E-03 -3.40113108E-03 1.87099531E-03 -1.54790539E-03 -3.43574578E-07 7.27951272E-03 4.24182734E-01 -2.76038595E-01 2.42350535E-01 2.99826028E-03 1.99958740E-03 -1.58925717E-03 -4.44034160E-01 2.72990733E-01 -2.36683522E-02 1.36718473E-02 7.87891566E-03 -1.10202611E-03 -2.39661370E-03 -3.63898480E-03 5.67052965E-05 3.08029788E-03 1.93237348E-03 1.52451529E-03 2.15268946E-03 -3.63898480E-03 6.97808414E-03 -4.03266680E-03 -4.79573225E-03 -4.19710848E-01 2.42320171E-01 -2.74169927E-01 -2.63926357E-03 -1.58925717E-03 1.93237348E-03 4.41554129E-01 -2.54931395E-01 2.71820693E-01 2.07192797E-02 1.71432062E-13 -1.38797649E-13 -5.51613817E-04 -7.15949497E-16 4.53139860E-16 -7.60200718E-04 1.74892232E-16 2.85783691E-15 -5.02105021E-04 2.51370543E-05 -1.30141180E-02 -7.92895693E-02 -1.68488811E-15 8.47204500E-15 -5.02105021E-04 -2.51370543E-05 1.30141180E-02 -7.52761178E-05 3.96358511E-04 4.03658306E-03 -7.52761178E-05 -3.96358511E-04 -4.03658306E-03 1.21717697E-01 1.93376375E-13 2.07319273E-02 -4.22730778E-07 -1.87915144E-15 -4.84611048E-04 1.50481568E-02 2.48575674E-15 1.54898953E-04 -4.66765800E-03 2.12585033E-05 -5.42690945E-04 -7.51673339E-03 -2.55558740E-16 -7.92934443E-02 -1.05758448E-05 -2.12585032E-05 -5.42690945E-04 -7.51673339E-03 3.99487328E-04 -5.28558658E-04 2.33037236E-03 -3.99487328E-04 -5.28558658E-04 2.33037236E-03 -1.94686863E-13 1.21719664E-01 -1.95106563E-13 -2.73356873E-05 -7.31091553E-02 4.36796857E-14 -1.33351466E-02 -1.39063117E-02 -8.74388111E-15 9.90820193E-03 6.28288138E-03 1.15529716E-02 6.67296837E-03 -1.39199524E-02 5.70901177E-16 1.49966047E-05 -2.81495057E-01 -1.15529716E-02 6.67296837E-03 -1.39199524E-02 -8.58019864E-03 -4.95478284E-03 6.28806184E-03 8.58019864E-03 -4.95478284E-03 6.28806184E-03 1.57732969E-13 -9.78613452E-06 1.50849099E+00 -5.36759080E-03 4.18297768E-14 3.19495916E-14 1.46768279E-04 7.56445688E-15 6.14037458E-15 2.01098464E-04 -9.64568762E-15 -6.75345653E-15 4.79236396E-04 1.93489161E-04 3.74112936E-03 3.33339048E-02 -8.91959327E-16 -2.47943058E-14 4.79236396E-04 -1.93489161E-04 -3.74112936E-03 -1.98483378E-04 -2.31058154E-04 -1.05324764E-03 -1.98483378E-04 2.31058154E-04 1.05324764E-03 -6.06765138E-02 4.32248192E-17 -2.62758557E-14 3.17997413E-02 3.53941556E-14 -5.37034009E-03 8.50169192E-07 -1.47615677E-15 5.89901909E-04 -4.32790445E-03 -6.76319240E-16 -3.32305743E-04 1.21865257E-03 1.94472227E-04 2.60005207E-04 2.16126537E-03 1.87835856E-15 3.33328443E-02 3.18079888E-06 -1.94472227E-04 2.60005207E-04 2.16126537E-03 -2.32041994E-04 6.68029363E-05 -6.08085573E-04 2.32041994E-04 6.68029363E-05 -6.08085573E-04 -1.58595207E-15 -6.06760326E-02 3.30266363E-06 -1.49758921E-14 3.17992863E-02 5.44736286E-14 1.70478370E-05 3.57309064E-02 -1.02083773E-16 1.07085979E-02 6.91417437E-03 1.02238188E-14 -7.25273553E-03 -3.59445304E-03 -9.27725548E-03 -5.35813771E-03 6.91919601E-03 -2.26262158E-14 -8.26707051E-06 -1.76025398E-01 9.27725548E-03 -5.35813771E-03 6.91919601E-03 6.28143402E-03 3.62709586E-03 -3.59710239E-03 -6.28143402E-03 3.62709586E-03 -3.59710239E-03 -2.91317531E-14 5.22588530E-06 -1.13098265E+00 1.75280400E-14 -1.55049940E-06 1.26130846E+00 Nonadiabatic coupling R N= 30 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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 4.44089210E-16 -2.88657986E-15 1.21809784E+00 Dipole Derivatives R N= 90 -1.23711554E+00 9.02015403E-13 -5.76177946E-14 -4.41862135E-13 -1.23634120E+00 1.75213906E-03 1.36404701E-13 4.94944335E-04 1.92970580E-01 3.00788836E-01 -5.96947666E-13 -3.96631976E-13 -6.67363504E-13 2.13867859E+00 1.39964259E+00 5.37263099E-14 8.52252616E-01 1.27198644E+00 -1.22591054E-01 -3.08409405E-13 -4.72710056E-14 -9.00201446E-14 -1.46048441E+00 -1.02444403E+00 -7.40292039E-14 -6.29733205E-01 -6.87386719E-01 1.67892581E+00 7.96066354E-01 -1.21279542E+00 7.96342229E-01 7.59894541E-01 -7.00507459E-01 -7.38288565E-01 -4.26318414E-01 1.27175337E+00 -1.19054707E-02 -3.32727757E-13 1.03320292E-13 1.59800736E-13 -1.26386543E-02 3.33524968E-04 5.61675145E-13 1.76796870E-05 -3.49388954E+00 1.67892581E+00 -7.96066354E-01 1.21279542E+00 -7.96342229E-01 7.59894541E-01 -7.00507459E-01 7.38288565E-01 -4.26318414E-01 1.27175337E+00 -1.12588395E+00 -5.79298082E-01 8.87464804E-01 -5.79384159E-01 -4.56953597E-01 5.12430667E-01 5.45554632E-01 3.14978538E-01 -6.87425122E-01 -1.12588395E+00 5.79298082E-01 -8.87464804E-01 5.79384159E-01 -4.56953597E-01 5.12430667E-01 -5.45554632E-01 3.14978538E-01 -6.87425122E-01 3.17645078E-02 4.61755322E-13 -5.13840778E-13 -1.29726523E-13 3.22681676E-02 -2.98574109E-04 1.39051948E-13 -6.52934471E-04 3.81804971E+00 -6.67187648E-02 -2.41390576E-13 9.04271442E-13 5.42783647E-14 -6.68523779E-02 1.22743146E-04 3.79753251E-14 4.60982408E-04 -2.26984400E+00 Polarizability R N= 6 8.12044309E+01 3.69019507E-12 8.11836837E+01 -1.41326461E-12 6.76424033E-04 1.89036057E+02 Quadrupole Moment R N= 6 1.51026857E+00 1.51026857E+00 -3.02053714E+00 0.00000000E+00 4.44089210E-15 -1.46549439E-14 QEq coupling tensors R N= 60 -2.82985817E-02 6.37667696E-12 -2.82985817E-02 -6.35910768E-12 -9.04222183E-12 5.65971635E-02 -4.31776344E-01 4.42007542E-15 6.05718068E-01 1.73472348E-18 5.06493863E-01 -1.73941724E-01 -3.48900641E-01 -9.61036806E-16 4.45564504E-01 0.00000000E+00 3.46497027E-01 -9.66638629E-02 3.46344465E-01 4.49248259E-01 -1.72402741E-01 -4.38636552E-01 -2.53246932E-01 -1.73941724E-01 3.08035571E-02 -2.13370988E-16 3.08035571E-02 -3.40005801E-16 -3.52148866E-16 -6.16071142E-02 3.46344465E-01 -4.49248259E-01 -1.72402741E-01 4.38636552E-01 -2.53246932E-01 -1.73941724E-01 2.46948218E-01 3.44013499E-01 -1.50284355E-01 -3.00075228E-01 -1.73248514E-01 -9.66638629E-02 2.46948218E-01 -3.44013499E-01 -1.50284355E-01 3.00075228E-01 -1.73248514E-01 -9.66638629E-02 -2.18354435E-01 -4.81385765E-17 -2.18354435E-01 2.23779328E-16 1.03216047E-16 4.36708870E-01 -2.72442475E-01 -1.06251813E-17 -2.72442475E-01 -1.73472348E-18 1.49667605E-14 5.44884950E-01 Number of Normal Modes I 24 Vib-LE2Fix I 14 Vib-NDFDPol I 0 Vib-NumROA I 0 Vib-NDim I 10 Vib-NDim0 I 10 Vib-LFlags I 8 Vib-IFlags I N= 192 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 11 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 13 0 0 0 0 0 0 0 14 0 0 0 0 0 0 0 15 0 0 0 0 0 0 0 16 0 0 0 0 0 0 0 17 0 0 0 0 0 0 0 18 0 0 0 0 0 0 0 19 0 0 0 0 0 0 0 20 0 0 0 0 0 0 0 21 0 0 0 0 0 0 0 22 0 0 0 0 0 0 0 23 0 0 0 0 0 0 0 24 0 0 0 0 0 Vib-AtMass R N= 10 5.59349393E+01 1.20000000E+01 1.59949146E+01 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.59949146E+01 1.59949146E+01 1.40030740E+01 1.40030740E+01 Vib-E2 R N= 336 1.12072295E+01 1.13819426E+01 7.76612755E+01 7.76627896E+01 8.83877778E+01 2.04291272E+02 2.04422180E+02 3.18502195E+02 3.39209483E+02 3.65462575E+02 3.65478937E+02 4.07457725E+02 4.07464484E+02 4.86558975E+02 4.96967239E+02 4.96975545E+02 5.88498791E+02 6.57774746E+02 6.57806206E+02 1.35907917E+03 2.17794148E+03 2.20878661E+03 2.20878668E+03 2.25006305E+03 1.61977245E+01 1.61981230E+01 1.61533862E+01 1.61524077E+01 1.69013085E+01 1.30525789E+01 1.30519572E+01 1.41157413E+01 1.27022333E+01 1.30426438E+01 1.30421529E+01 1.68450090E+01 1.68452108E+01 1.37082990E+01 1.41900506E+01 1.41902987E+01 1.95522154E+01 1.33679773E+01 1.33678517E+01 1.24924660E+01 1.39491089E+01 1.34199291E+01 1.34199259E+01 1.34545957E+01 1.19867305E-03 1.23636778E-03 5.74014439E-02 5.74002049E-02 7.77955868E-02 3.20956484E-01 3.21352642E-01 8.43681939E-01 8.61125113E-01 1.02636458E+00 1.02641785E+00 1.64773194E+00 1.64780635E+00 1.91207422E+00 2.06485551E+00 2.06496063E+00 3.98967321E+00 3.40777013E+00 3.40806408E+00 1.35952716E+01 3.89842408E+01 3.85751785E+01 3.85751718E+01 4.01337950E+01 4.84488620E-04 4.61532413E-04 3.49993693E-02 3.48705831E-02 8.49305400E-02 2.04437423E+00 2.03312431E+00 6.32056731E+01 1.33419880E-04 4.81936451E-01 4.81388526E-01 3.60629142E+01 3.60607090E+01 7.32807164E+01 2.88591160E+01 2.88877064E+01 2.73520837E+01 1.34499604E+00 1.32996024E+00 9.12356322E+02 2.09795728E+03 8.47269767E+02 8.47235422E+02 3.42173356E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 1.00000000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 Vib-Modes R N= 720 -1.73163391E-08 -2.05034604E-01 6.08186576E-05 -4.26531865E-09 -5.30306826E-02 -3.05297307E-01 6.61818531E-09 4.26978114E-02 -4.96534316E-01 -1.04552779E-03 -5.12335980E-02 1.52597828E-01 -1.06640484E-08 -1.26562054E-01 1.02555579E-04 1.04551891E-03 -5.12335979E-02 1.52597783E-01 -1.55784526E-02 6.95172314E-02 2.48076378E-01 1.55784614E-02 6.95172340E-02 2.48076305E-01 2.28699922E-08 2.70722308E-01 9.43157597E-05 4.91771257E-08 5.82413588E-01 9.79266770E-05 -2.05028997E-01 1.73128771E-08 -2.64051640E-11 -5.05079118E-02 4.45977446E-09 2.57887852E-08 7.83074386E-02 -3.64415657E-09 4.19784278E-08 -5.25797371E-02 -8.18587831E-04 2.64327654E-01 -1.26305202E-01 1.06889803E-08 -2.95613997E-11 -5.25797373E-02 8.18596501E-04 -2.64327680E-01 5.16812370E-02 -1.55470205E-02 4.30003816E-01 5.16812344E-02 1.55470088E-02 -4.30003858E-01 2.70785859E-01 -2.28630642E-08 -2.84406298E-11 5.82324027E-01 -4.91884399E-08 -2.87844686E-11 -1.35076702E-01 -6.35259998E-07 7.14022272E-11 1.92518927E-01 -9.07165737E-07 2.97409032E-07 6.59927015E-01 -1.27415923E-06 1.04140484E-06 -9.66281024E-02 -1.66642715E-01 -5.47518618E-02 -1.52478445E-01 -7.18269365E-07 1.73616904E-10 -9.66265329E-02 1.66643619E-01 5.47515641E-02 -3.80340433E-02 -4.03101363E-01 -1.91557898E-01 -3.80302505E-02 4.03105384E-01 1.91556856E-01 -4.52215053E-02 -2.13340276E-07 1.59240864E-10 4.91665384E-02 2.31150900E-07 1.67749495E-10 6.35575276E-07 -1.35002411E-01 1.63352760E-05 -9.05848766E-07 -1.92784634E-01 6.32030068E-02 -3.10513329E-06 -2.70775204E-01 2.21311161E-01 -1.66774445E-01 9.61118905E-02 -3.16256516E-02 7.17457575E-07 -1.52643664E-01 3.81392894E-05 1.66775354E-01 9.61103223E-02 -3.16261669E-02 -4.03010745E-01 4.27257449E-01 -1.10710773E-01 4.03011103E-01 4.27253656E-01 -1.10712576E-01 2.12775189E-07 -4.53377991E-02 3.51161150E-05 -2.31355328E-07 4.91240225E-02 3.69244481E-05 2.82165155E-11 -5.85432494E-05 -1.94633645E-01 -1.09040826E-12 -1.48911009E-01 1.93772619E-02 -3.26258584E-11 -3.29890479E-01 3.83435290E-01 1.28884211E-01 7.43840137E-02 1.94105137E-02 3.22779440E-11 -3.93103662E-05 -2.05319631E-01 -1.28884211E-01 7.43840137E-02 1.94105138E-02 2.85662181E-01 1.65010087E-01 3.83677644E-01 -2.85662181E-01 1.65010087E-01 3.83677644E-01 -2.25979061E-11 6.42829172E-05 -2.04670254E-01 -7.08259625E-11 1.77640684E-04 -2.06276646E-01 4.45938669E-11 -6.52249352E-02 1.44414415E-05 7.34486858E-11 -1.93276513E-01 7.13333690E-02 -7.11125215E-11 -6.24862809E-02 -1.96926174E-01 -3.64257189E-02 -1.30313603E-01 -3.56461214E-02 -4.99366794E-10 7.49367972E-01 -4.58358674E-05 3.64257192E-02 -1.30313603E-01 -3.56461215E-02 -7.18115471E-02 6.17701642E-02 9.84828291E-02 7.18115472E-02 6.17701641E-02 9.84828294E-02 -2.25249910E-10 3.36643705E-01 -4.99148457E-05 2.63800496E-10 -3.99042327E-01 -4.88362783E-05 -6.51163015E-02 -4.21560677E-11 2.17136623E-12 -1.09429729E-01 -1.25991410E-10 4.88851086E-11 1.03121749E-01 -3.60103810E-11 -1.35554502E-10 -1.72067764E-01 -3.65731394E-02 -6.14174387E-02 7.49410771E-01 5.00495914E-10 3.79371152E-12 -1.72067764E-01 3.65731393E-02 6.14174387E-02 -2.13105415E-02 -7.16521113E-02 1.70400233E-01 -2.13105414E-02 7.16521114E-02 -1.70400233E-01 3.36769523E-01 2.23840951E-10 3.94531976E-12 -3.99296707E-01 -2.68986606E-10 4.12625008E-12 -3.46805878E-12 4.68111859E-05 -6.90326175E-02 -1.61861655E-11 3.42007850E-01 1.20778996E-01 1.40417190E-11 3.06091066E-01 2.03086348E-01 -2.96353008E-01 -1.71155851E-01 1.20516653E-01 -9.23636175E-13 -1.21936306E-04 -2.26607625E-01 2.96353008E-01 -1.71155851E-01 1.20516653E-01 -2.65100137E-01 -1.52985324E-01 2.03288781E-01 2.65100138E-01 -1.52985324E-01 2.03288781E-01 -3.35904767E-12 -1.85747617E-04 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