proba optymalizacji FOpt UHF Gen Number of atoms I 10 Charge I 1 Multiplicity I 2 Number of electrons I 63 Number of alpha electrons I 32 Number of beta electrons I 31 Number of basis functions I 230 Number of independant functions I 230 Number of point charges in /Mol/ I 0 Number of translation vectors I 0 Info1-9 I N= 9 56 55 0 0 0 111 2 1 1 Num ILSW I 100 ILSW I N= 100 1 0 0 1 2 0 0 0 0 0 0 1000000 0 0 -1 0 0 0 0 1000000 0 0 1 0 1 0 0 0 1000000 0 0 0 100000 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1000000 1000000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Number of contracted shells I 90 Highest angular momentum I 2 Largest degree of contraction I 7 Number of primitive shells I 230 Pure/Cartesian d shells I 0 Pure/Cartesian f shells I 0 Virial Ratio R 2.000811114815847E+00 SCF Energy R -4.445763808003308E+02 Total Energy R -4.445763808003308E+02 S**2 R 1.409204782397914E+00 S**2 after annihilation R 1.350935149153894E+00 RMS Force R 2.529287646970811E-05 Atomic numbers I N= 10 6 6 6 6 6 6 7 7 7 7 Nuclear charges R N= 10 6.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 6.00000000E+00 7.00000000E+00 7.00000000E+00 7.00000000E+00 7.00000000E+00 Current cartesian coordinates R N= 30 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 Int Atom Types I N= 10 0 0 0 0 0 0 0 0 0 0 Force Field I 0 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 12 12 12 12 12 12 14 14 14 14 Real atomic weights R N= 10 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.20000000E+01 1.40030740E+01 1.40030740E+01 1.40030740E+01 1.40030740E+01 Atom residue info I N= 10 0 0 0 0 0 0 0 0 0 0 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 2 2 2 2 Nuclear ZEff R N= 10 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -4.55000000E+00 -4.55000000E+00 -4.55000000E+00 -4.55000000E+00 Nuclear QMom R N= 10 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.04400000E+00 2.04400000E+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 4.03761000E-01 4.03761000E-01 4.03761000E-01 4.03761000E-01 MicOpt I N= 10 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 Constraint Structure R N= 30 -4.37905770E-47 0.00000000E+00 1.37005145E+00 1.67782912E-16 0.00000000E+00 -1.37005145E+00 -2.05433169E-32 2.37299872E+00 2.74010289E+00 -2.90608528E-16 -2.37299872E+00 2.74010289E+00 -2.90608528E-16 -2.37299872E+00 -2.74010289E+00 3.35565824E-16 2.37299872E+00 -2.74010289E+00 -4.22208872E-33 4.72963192E+00 4.10070571E+00 -5.79212859E-16 -4.72963192E+00 4.10070571E+00 5.02191612E-16 4.72963192E+00 -4.10070571E+00 -5.79212859E-16 -4.72963192E+00 -4.10070571E+00 ONIOM Charges I N= 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ONIOM Multiplicities I N= 16 2 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 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 MxBond I 3 NBond I N= 10 3 3 2 2 2 2 1 1 1 1 IBond I N= 30 2 3 4 1 5 6 1 7 0 1 8 0 2 10 0 2 9 0 3 0 0 4 0 0 6 0 0 5 0 0 RBond R N= 30 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 1.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 1.00000000E+00 0.00000000E+00 0.00000000E+00 Shell types I N= 90 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 0 0 0 1 1 -2 0 1 -2 Number of primitives per shell I N= 90 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 7 7 1 3 1 1 1 1 1 Shell to atom map I N= 90 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 Primitive exponents R N= 230 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 6.66500000E+03 1.00000000E+03 2.28000000E+02 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 6.66500000E+03 1.00000000E+03 6.47100000E+01 2.10600000E+01 7.49500000E+00 2.79700000E+00 5.21500000E-01 1.59600000E-01 9.43900000E+00 2.00200000E+00 5.45600000E-01 1.51700000E-01 5.50000000E-01 4.69000000E-02 4.04100000E-02 1.51000000E-01 9.04600000E+03 1.35700000E+03 3.09300000E+02 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 9.04600000E+03 1.35700000E+03 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 7.46600000E-01 2.24800000E-01 1.35500000E+01 2.91700000E+00 7.97300000E-01 2.18500000E-01 8.17000000E-01 6.12400000E-02 5.61100000E-02 2.30000000E-01 9.04600000E+03 1.35700000E+03 3.09300000E+02 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 9.04600000E+03 1.35700000E+03 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 7.46600000E-01 2.24800000E-01 1.35500000E+01 2.91700000E+00 7.97300000E-01 2.18500000E-01 8.17000000E-01 6.12400000E-02 5.61100000E-02 2.30000000E-01 9.04600000E+03 1.35700000E+03 3.09300000E+02 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 9.04600000E+03 1.35700000E+03 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 7.46600000E-01 2.24800000E-01 1.35500000E+01 2.91700000E+00 7.97300000E-01 2.18500000E-01 8.17000000E-01 6.12400000E-02 5.61100000E-02 2.30000000E-01 9.04600000E+03 1.35700000E+03 3.09300000E+02 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 9.04600000E+03 1.35700000E+03 8.77300000E+01 2.85600000E+01 1.02100000E+01 3.83800000E+00 7.46600000E-01 2.24800000E-01 1.35500000E+01 2.91700000E+00 7.97300000E-01 2.18500000E-01 8.17000000E-01 6.12400000E-02 5.61100000E-02 2.30000000E-01 Contraction coefficients R N= 230 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 6.93516317E-04 5.34150243E-03 2.71366714E-02 1.01992385E-01 2.75508636E-01 4.51086433E-01 2.87565745E-01 6.28313219E-07 -5.48480000E-05 -3.63137064E-03 -1.17983699E-02 -1.10909885E-01 -1.34742247E-01 1.10175849E+00 1.00000000E+00 5.69792516E-02 3.13207212E-01 7.60376742E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 7.01708743E-04 5.40299880E-03 2.74729510E-02 1.03514580E-01 2.79586579E-01 4.51317241E-01 2.80626875E-01 9.31882215E-08 -5.92828283E-05 -3.94243747E-03 -1.29877004E-02 -1.19547985E-01 -1.21515281E-01 1.10041280E+00 1.00000000E+00 5.89056768E-02 3.20461107E-01 7.53042062E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 7.01708743E-04 5.40299880E-03 2.74729510E-02 1.03514580E-01 2.79586579E-01 4.51317241E-01 2.80626875E-01 9.31882215E-08 -5.92828283E-05 -3.94243747E-03 -1.29877004E-02 -1.19547985E-01 -1.21515281E-01 1.10041280E+00 1.00000000E+00 5.89056768E-02 3.20461107E-01 7.53042062E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 7.01708743E-04 5.40299880E-03 2.74729510E-02 1.03514580E-01 2.79586579E-01 4.51317241E-01 2.80626875E-01 9.31882215E-08 -5.92828283E-05 -3.94243747E-03 -1.29877004E-02 -1.19547985E-01 -1.21515281E-01 1.10041280E+00 1.00000000E+00 5.89056768E-02 3.20461107E-01 7.53042062E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 7.01708743E-04 5.40299880E-03 2.74729510E-02 1.03514580E-01 2.79586579E-01 4.51317241E-01 2.80626875E-01 9.31882215E-08 -5.92828283E-05 -3.94243747E-03 -1.29877004E-02 -1.19547985E-01 -1.21515281E-01 1.10041280E+00 1.00000000E+00 5.89056768E-02 3.20461107E-01 7.53042062E-01 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 Coordinates of each shell R N= 270 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 Alpha Orbital Energies R N= 230 -1.58783175E+01 -1.58783174E+01 -1.58783166E+01 -1.58783157E+01 -1.16783883E+01 -1.16772124E+01 -1.15378110E+01 -1.15378054E+01 -1.15378037E+01 -1.15377960E+01 -1.53701096E+00 -1.51737396E+00 -1.51409816E+00 -1.51120320E+00 -1.45363025E+00 -1.28228503E+00 -1.12785436E+00 -1.04042434E+00 -1.01728437E+00 -8.63687894E-01 -8.36516723E-01 -8.36074595E-01 -8.34050766E-01 -8.27360233E-01 -7.84970204E-01 -7.66994009E-01 -7.60755076E-01 -7.57764917E-01 -7.54472838E-01 -7.52303740E-01 -7.35034081E-01 -6.89405170E-01 -2.97482561E-01 -1.11786724E-01 -1.00640595E-01 -9.01662908E-02 -7.26187737E-02 -6.62899949E-02 -6.14874926E-02 -5.60523118E-02 -5.09609012E-02 -3.70778354E-02 -2.98559346E-02 -1.71553419E-02 -1.52053327E-02 -1.29680566E-02 -8.48192986E-03 5.33994445E-03 1.38927465E-02 2.15203882E-02 2.48172465E-02 2.96332585E-02 3.53169981E-02 3.60331131E-02 3.81621825E-02 3.96167610E-02 5.90476762E-02 5.90717884E-02 6.89913805E-02 7.66361534E-02 8.41095810E-02 9.68064265E-02 1.08531792E-01 1.12502461E-01 1.29581925E-01 1.30346989E-01 1.34496159E-01 1.37215788E-01 1.42256540E-01 1.46571675E-01 1.54673065E-01 1.61466395E-01 1.68066998E-01 1.78489564E-01 1.79585410E-01 1.81942794E-01 1.89400105E-01 1.95394820E-01 2.16880227E-01 2.20285324E-01 2.21935339E-01 2.33482237E-01 2.55190818E-01 2.60291730E-01 2.81386352E-01 2.91588520E-01 3.00078305E-01 3.07845992E-01 3.27783600E-01 3.32924457E-01 3.63433330E-01 3.89200734E-01 4.12366140E-01 4.14247289E-01 4.15146585E-01 4.26510465E-01 4.29277771E-01 4.33823658E-01 4.38387040E-01 4.60355850E-01 4.65014796E-01 4.69864317E-01 4.83658405E-01 4.89103274E-01 5.07215007E-01 5.17245169E-01 5.33170539E-01 5.54977567E-01 5.66293590E-01 5.68892899E-01 5.80318528E-01 5.80995016E-01 5.82019890E-01 5.91833104E-01 6.35768652E-01 6.49316397E-01 6.82466310E-01 6.94752879E-01 7.06736761E-01 7.16264998E-01 7.17667039E-01 7.19653891E-01 7.28836105E-01 7.44669358E-01 8.05884528E-01 8.10264838E-01 8.13498284E-01 8.16965959E-01 8.19163440E-01 8.23190145E-01 8.23481249E-01 8.36600121E-01 8.37496766E-01 8.43092476E-01 8.55278466E-01 8.64465984E-01 8.79203837E-01 8.86508119E-01 9.25008317E-01 9.42972330E-01 9.50980730E-01 9.56686908E-01 9.92120326E-01 1.00509186E+00 1.02615719E+00 1.06450263E+00 1.08777968E+00 1.10906039E+00 1.12441517E+00 1.13372554E+00 1.16043260E+00 1.16064897E+00 1.17524283E+00 1.23319462E+00 1.24770153E+00 1.30716878E+00 1.30717801E+00 1.32494298E+00 1.35570047E+00 1.38467906E+00 1.41011873E+00 1.46108961E+00 1.46121923E+00 1.46689451E+00 1.47316637E+00 1.47734204E+00 1.47778227E+00 1.48043395E+00 1.48674167E+00 1.50030220E+00 1.52489879E+00 1.53476468E+00 1.54315306E+00 1.54739961E+00 1.57677925E+00 1.58787276E+00 1.61089631E+00 1.61869011E+00 1.62716468E+00 1.65668682E+00 1.66049955E+00 1.67669169E+00 1.74581634E+00 1.78368074E+00 1.78908523E+00 1.80083402E+00 1.80294152E+00 1.81432561E+00 1.85449542E+00 1.87617614E+00 1.94564514E+00 1.95408264E+00 2.00267062E+00 2.06533797E+00 2.07924334E+00 2.10433280E+00 2.12559682E+00 2.13936101E+00 2.23234476E+00 2.34465247E+00 2.36010967E+00 2.36181293E+00 2.36613077E+00 2.37165326E+00 2.37251837E+00 2.38189480E+00 2.39201882E+00 2.40179759E+00 2.46970498E+00 2.50319563E+00 2.57094529E+00 2.58405758E+00 2.59482274E+00 2.68558291E+00 2.73551152E+00 2.75004159E+00 2.75313515E+00 2.90055355E+00 3.02509208E+00 3.11830299E+00 3.16629811E+00 3.18953758E+00 3.19611936E+00 3.24609220E+00 3.26440925E+00 3.27002588E+00 3.34203849E+00 3.37150704E+00 3.48678059E+00 3.91122431E+00 Beta Orbital Energies R N= 230 -1.58566885E+01 -1.58566876E+01 -1.58566868E+01 -1.58566849E+01 -1.16707917E+01 -1.16698388E+01 -1.15526503E+01 -1.15526404E+01 -1.15526283E+01 -1.15526144E+01 -1.51914948E+00 -1.48061958E+00 -1.46937790E+00 -1.46359724E+00 -1.40088332E+00 -1.28146694E+00 -1.14173218E+00 -1.04891877E+00 -1.04269721E+00 -8.32695594E-01 -8.03727077E-01 -8.02218765E-01 -8.00451932E-01 -7.94097568E-01 -7.58239481E-01 -7.38810925E-01 -7.38701033E-01 -7.30230137E-01 -7.01693507E-01 -6.90178459E-01 -6.79019502E-01 -3.33784931E-01 -1.97889647E-01 -1.08468413E-01 -8.36273536E-02 -8.22531214E-02 -6.54563511E-02 -6.35494236E-02 -6.09967242E-02 -4.62031948E-02 -3.67896836E-02 -3.54288797E-02 -2.93166403E-02 -1.38643591E-02 -1.22981679E-02 -1.19254898E-02 -1.10154722E-02 4.67257845E-03 1.94304310E-02 1.99842185E-02 2.37019286E-02 2.60029546E-02 3.55630197E-02 3.60997072E-02 4.29932258E-02 5.23670791E-02 5.51937833E-02 5.93591827E-02 6.61641200E-02 8.20642478E-02 8.71774624E-02 9.89746093E-02 1.12153861E-01 1.23813838E-01 1.33132231E-01 1.34215238E-01 1.37261136E-01 1.41597255E-01 1.42483237E-01 1.48847508E-01 1.51909869E-01 1.61118429E-01 1.70412770E-01 1.76999842E-01 1.82445803E-01 1.83774526E-01 1.88039405E-01 2.10172900E-01 2.16851045E-01 2.21523038E-01 2.23153094E-01 2.38722453E-01 2.48710440E-01 2.55188234E-01 2.81670130E-01 2.93443203E-01 2.96252188E-01 3.00005878E-01 3.15924334E-01 3.25453182E-01 3.68698103E-01 3.91532172E-01 4.08588246E-01 4.13889330E-01 4.17610713E-01 4.24521413E-01 4.26776760E-01 4.29493525E-01 4.40561767E-01 4.52163252E-01 4.63626070E-01 4.81599310E-01 4.87872357E-01 4.95062564E-01 4.96704740E-01 5.24698166E-01 5.36986303E-01 5.60538980E-01 5.65973815E-01 5.80456005E-01 5.88918620E-01 5.89565733E-01 5.92939253E-01 5.93582583E-01 6.43193436E-01 6.45198298E-01 6.91742466E-01 6.94312252E-01 7.15670757E-01 7.19480138E-01 7.19760107E-01 7.26940239E-01 7.42631011E-01 7.56674048E-01 8.11684262E-01 8.15408798E-01 8.18432336E-01 8.22856133E-01 8.25524861E-01 8.28327532E-01 8.29458374E-01 8.43840520E-01 8.46912213E-01 8.47433921E-01 8.60074350E-01 8.70439458E-01 8.76862587E-01 8.93076325E-01 9.23577959E-01 9.37271153E-01 9.56262386E-01 9.57300350E-01 9.91921106E-01 1.00183992E+00 1.02206375E+00 1.06692692E+00 1.08892938E+00 1.10424769E+00 1.12851699E+00 1.12917604E+00 1.15606736E+00 1.15933920E+00 1.17980120E+00 1.23009433E+00 1.23911105E+00 1.30810049E+00 1.31986640E+00 1.33028780E+00 1.35020634E+00 1.38269746E+00 1.41150677E+00 1.43637565E+00 1.44282974E+00 1.46135233E+00 1.46917760E+00 1.47023470E+00 1.48998387E+00 1.50345754E+00 1.50452475E+00 1.51962222E+00 1.53763682E+00 1.54732081E+00 1.54838031E+00 1.55623221E+00 1.56472408E+00 1.59229398E+00 1.60596242E+00 1.61055009E+00 1.62834717E+00 1.66120494E+00 1.66633382E+00 1.68522775E+00 1.74470323E+00 1.77740491E+00 1.78521035E+00 1.79987896E+00 1.80803477E+00 1.82181391E+00 1.85665424E+00 1.87547829E+00 1.94788058E+00 1.96639293E+00 2.00287261E+00 2.06763192E+00 2.09205200E+00 2.10952929E+00 2.14105638E+00 2.14210755E+00 2.24571562E+00 2.37761560E+00 2.38129283E+00 2.39527497E+00 2.40746271E+00 2.41061003E+00 2.42060516E+00 2.43133979E+00 2.44005296E+00 2.44982259E+00 2.48517707E+00 2.52281667E+00 2.57904427E+00 2.59842533E+00 2.60402547E+00 2.71127855E+00 2.75965310E+00 2.76647515E+00 2.77267394E+00 2.91888904E+00 3.03125709E+00 3.11982175E+00 3.17281540E+00 3.19476589E+00 3.20022246E+00 3.25694375E+00 3.27288537E+00 3.27391706E+00 3.35078208E+00 3.38406637E+00 3.49043743E+00 3.91292895E+00 Alpha MO coefficients R N= 52900 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.50485868E-04 0.00000000E+00 0.00000000E+00 1.12236396E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.77567169E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.57061605E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.48609099E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.50485868E-04 0.00000000E+00 0.00000000E+00 -1.12236396E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.77567169E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -9.57061605E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.48609099E-03 0.00000000E+00 0.00000000E+00 1.62948568E-04 2.55350675E-04 2.60418758E-03 0.00000000E+00 -1.56234277E-04 -7.50271227E-05 0.00000000E+00 8.08258001E-03 6.43598158E-03 1.51023051E-04 0.00000000E+00 -6.70763598E-04 5.79849476E-04 0.00000000E+00 5.46119088E-04 0.00000000E+00 -2.29272183E-03 5.87315537E-04 -8.05845024E-04 0.00000000E+00 1.13924745E-03 -8.95575366E-04 0.00000000E+00 -1.62948568E-04 -2.55350675E-04 -2.60418758E-03 0.00000000E+00 -1.56234277E-04 7.50271227E-05 0.00000000E+00 8.08258001E-03 -6.43598158E-03 -1.51023051E-04 0.00000000E+00 -6.70763598E-04 -5.79849476E-04 0.00000000E+00 -5.46119088E-04 0.00000000E+00 -2.29272183E-03 -5.87315537E-04 8.05845024E-04 0.00000000E+00 1.13924745E-03 8.95575366E-04 0.00000000E+00 1.62948568E-04 2.55350675E-04 2.60418758E-03 0.00000000E+00 1.56234277E-04 7.50271227E-05 0.00000000E+00 -8.08258001E-03 -6.43598158E-03 1.51023051E-04 0.00000000E+00 -6.70763598E-04 5.79849476E-04 0.00000000E+00 5.46119088E-04 0.00000000E+00 2.29272183E-03 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4.10535440E-01 -1.77848166E-03 0.00000000E+00 -1.75163015E-02 4.29927964E-02 0.00000000E+00 3.69953031E+00 0.00000000E+00 -4.62954318E-01 -4.91498958E-01 -5.35781647E-02 0.00000000E+00 -4.03242652E-01 -1.27966605E-01 0.00000000E+00 5.59201909E-02 5.30623267E-01 1.52836064E+00 0.00000000E+00 3.06117543E-01 -1.85604226E-01 0.00000000E+00 -5.58081223E-01 4.10535440E-01 -1.77848166E-03 0.00000000E+00 1.75163015E-02 4.29927964E-02 0.00000000E+00 3.69953031E+00 0.00000000E+00 4.62954318E-01 -4.91498958E-01 -5.35781647E-02 0.00000000E+00 4.03242652E-01 -1.27966605E-01 0.00000000E+00 -5.59201909E-02 -5.30623267E-01 -1.52836064E+00 0.00000000E+00 3.06117543E-01 -1.85604226E-01 0.00000000E+00 -5.58081223E-01 4.10535440E-01 1.77848166E-03 0.00000000E+00 -1.75163015E-02 -4.29927964E-02 0.00000000E+00 -3.69953031E+00 0.00000000E+00 4.62954318E-01 -4.91498958E-01 5.35781647E-02 0.00000000E+00 -4.03242652E-01 1.27966605E-01 0.00000000E+00 -5.59201909E-02 -5.30623267E-01 -1.52836064E+00 0.00000000E+00 -3.06117543E-01 -1.85604226E-01 0.00000000E+00 5.58081223E-01 4.10535440E-01 1.77848166E-03 0.00000000E+00 1.75163015E-02 -4.29927964E-02 0.00000000E+00 -3.69953031E+00 0.00000000E+00 -4.62954318E-01 -4.91498958E-01 5.35781647E-02 0.00000000E+00 4.03242652E-01 1.27966605E-01 0.00000000E+00 Total SCF Density R N= 26565 2.06069643E+00 -1.00602170E-01 3.03610715E-01 -2.45043606E-01 3.48546737E-01 6.87032989E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.66566010E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05836788E-01 4.69627398E-03 -8.28470272E-03 -1.30806376E-01 0.00000000E+00 0.00000000E+00 4.15669313E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.41520174E-01 0.00000000E+00 0.00000000E+00 8.52183372E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.47790543E-03 0.00000000E+00 0.00000000E+00 2.68819309E-01 7.60510138E-02 -1.67332312E-01 -3.48062439E-01 0.00000000E+00 0.00000000E+00 3.34742131E-02 0.00000000E+00 0.00000000E+00 3.20817735E-01 -3.04447528E-03 7.42167794E-03 3.97000119E-03 0.00000000E+00 0.00000000E+00 -2.69651983E-02 0.00000000E+00 0.00000000E+00 -1.22159956E-04 5.12548845E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.77079398E-03 0.00000000E+00 0.00000000E+00 -7.58388602E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.41362335E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.53991550E-02 0.00000000E+00 0.00000000E+00 1.03910511E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.62908633E-03 4.34226561E-03 -1.15945938E-02 -1.28231163E-02 0.00000000E+00 0.00000000E+00 -1.65319037E-02 0.00000000E+00 0.00000000E+00 6.37362733E-03 2.50675982E-03 0.00000000E+00 0.00000000E+00 2.22295598E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.80239574E-03 -2.57592199E-02 -1.92820213E-01 -3.51231929E-02 0.00000000E+00 0.00000000E+00 -8.69143643E-02 0.00000000E+00 0.00000000E+00 2.37777348E-01 -2.05879326E-02 0.00000000E+00 0.00000000E+00 2.79500513E-03 0.00000000E+00 1.40332159E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.26059181E-02 0.00000000E+00 0.00000000E+00 -2.74125131E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.91609201E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.76435003E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.72078588E-02 0.00000000E+00 0.00000000E+00 -7.14447280E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.49525913E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.39193585E-01 1.02986507E-02 -1.43647147E-02 2.99758483E-02 0.00000000E+00 0.00000000E+00 -4.83049166E-02 0.00000000E+00 0.00000000E+00 1.39815453E-02 -1.81461939E-03 0.00000000E+00 0.00000000E+00 9.68624821E-04 0.00000000E+00 1.65959171E-01 0.00000000E+00 0.00000000E+00 4.05251478E-02 -2.70023552E-02 6.05784872E-02 9.89603752E-02 0.00000000E+00 0.00000000E+00 1.11873088E-01 0.00000000E+00 0.00000000E+00 -9.16994190E-02 -1.17849941E-02 0.00000000E+00 0.00000000E+00 -9.05221210E-03 0.00000000E+00 -3.15629955E-02 0.00000000E+00 0.00000000E+00 -8.96663061E-03 7.29081089E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.85543827E-02 0.00000000E+00 0.00000000E+00 -7.80574042E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.65811266E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.43992030E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.17791974E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.49477135E-01 0.00000000E+00 0.00000000E+00 1.53777802E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.66997349E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.18471952E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.92672559E-01 -3.07878214E-03 3.31867955E-02 5.78488271E-02 0.00000000E+00 0.00000000E+00 6.83297333E-02 0.00000000E+00 0.00000000E+00 -6.04102060E-02 -7.27141029E-03 0.00000000E+00 0.00000000E+00 -5.32311409E-03 0.00000000E+00 -1.68799449E-02 0.00000000E+00 0.00000000E+00 -5.67858589E-03 4.50201906E-02 0.00000000E+00 0.00000000E+00 2.85028889E-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 -3.63821331E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.14131907E-03 1.54441372E-02 -3.13651851E-02 2.66239328E-02 0.00000000E+00 0.00000000E+00 7.24169186E-02 0.00000000E+00 0.00000000E+00 -7.34720584E-02 -9.80455755E-03 0.00000000E+00 0.00000000E+00 -2.55573279E-03 0.00000000E+00 1.52638255E-02 0.00000000E+00 0.00000000E+00 -1.80516734E-02 4.10757498E-02 0.00000000E+00 0.00000000E+00 2.52265858E-02 0.00000000E+00 2.06069643E+00 -3.13651851E-02 6.07864446E-02 -6.41019445E-02 0.00000000E+00 0.00000000E+00 -1.55231646E-01 0.00000000E+00 0.00000000E+00 1.16975242E-01 2.07116062E-02 0.00000000E+00 0.00000000E+00 6.34595443E-03 0.00000000E+00 5.34607311E-02 0.00000000E+00 0.00000000E+00 2.76354440E-03 -7.67289718E-02 0.00000000E+00 0.00000000E+00 -5.20483425E-02 0.00000000E+00 -1.00602170E-01 3.03610715E-01 2.66239328E-02 -6.41019445E-02 -1.98383630E-01 0.00000000E+00 0.00000000E+00 -3.61906028E-01 0.00000000E+00 0.00000000E+00 2.25640791E-01 3.71684022E-02 0.00000000E+00 0.00000000E+00 2.10366408E-02 0.00000000E+00 7.23632464E-03 0.00000000E+00 0.00000000E+00 7.44651135E-03 -1.92468417E-01 0.00000000E+00 0.00000000E+00 -1.24486536E-01 0.00000000E+00 -2.45043606E-01 3.48546737E-01 6.87032989E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.89982276E-01 0.00000000E+00 0.00000000E+00 1.13942279E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.05723056E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.21577032E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.86091527E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.66566010E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.07016601E-03 0.00000000E+00 0.00000000E+00 -1.60489914E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.09158786E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.96939939E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.52648552E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.05836788E-01 -7.24169186E-02 1.55231646E-01 3.61906028E-01 0.00000000E+00 0.00000000E+00 -3.17154255E-01 0.00000000E+00 0.00000000E+00 -1.99448711E-01 2.43121022E-02 0.00000000E+00 0.00000000E+00 8.07583880E-03 0.00000000E+00 -1.46754296E-01 0.00000000E+00 0.00000000E+00 2.22323725E-02 -3.80940131E-02 0.00000000E+00 0.00000000E+00 -2.28116051E-02 0.00000000E+00 -4.69627398E-03 8.28470272E-03 1.30806376E-01 0.00000000E+00 0.00000000E+00 4.15669313E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.13942279E-01 0.00000000E+00 0.00000000E+00 7.52282615E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.21843159E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.02674518E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.78268443E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.41520174E-01 0.00000000E+00 0.00000000E+00 8.52183372E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.60489914E-01 0.00000000E+00 0.00000000E+00 -1.19573923E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.37722619E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.08164374E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.60093474E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.47790543E-03 0.00000000E+00 0.00000000E+00 2.68819309E-01 7.34720584E-02 -1.16975242E-01 -2.25640791E-01 0.00000000E+00 0.00000000E+00 -1.99448711E-01 0.00000000E+00 0.00000000E+00 2.20441087E-01 2.11556984E-02 0.00000000E+00 0.00000000E+00 1.83194724E-02 0.00000000E+00 1.82887305E-01 0.00000000E+00 0.00000000E+00 3.49637088E-02 -1.40501309E-01 0.00000000E+00 0.00000000E+00 -8.66917645E-02 0.00000000E+00 -7.60510138E-02 1.67332312E-01 3.48062439E-01 0.00000000E+00 0.00000000E+00 3.34742131E-02 0.00000000E+00 0.00000000E+00 3.20817735E-01 -9.80455755E-03 2.07116062E-02 3.71684022E-02 0.00000000E+00 0.00000000E+00 -2.43121022E-02 0.00000000E+00 0.00000000E+00 -2.11556984E-02 1.13897108E-03 0.00000000E+00 0.00000000E+00 1.83543034E-05 0.00000000E+00 1.06764476E-02 0.00000000E+00 0.00000000E+00 5.57706733E-03 1.58180296E-03 0.00000000E+00 0.00000000E+00 1.08243667E-03 0.00000000E+00 -3.04447528E-03 7.42167794E-03 3.97000119E-03 0.00000000E+00 0.00000000E+00 2.69651983E-02 0.00000000E+00 0.00000000E+00 1.22159956E-04 5.12548845E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.05723056E-02 0.00000000E+00 0.00000000E+00 1.21843159E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.72265733E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.27291987E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.44022618E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.77079398E-03 0.00000000E+00 0.00000000E+00 7.58388602E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.41362335E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.09158786E-02 0.00000000E+00 0.00000000E+00 1.37722619E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.01698488E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.63750635E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.05492070E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -3.53991550E-02 0.00000000E+00 0.00000000E+00 -1.03910511E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.62908633E-03 -2.55573279E-03 6.34595443E-03 2.10366408E-02 0.00000000E+00 0.00000000E+00 -8.07583880E-03 0.00000000E+00 0.00000000E+00 -1.83194724E-02 1.83543034E-05 0.00000000E+00 0.00000000E+00 1.50478836E-04 0.00000000E+00 1.04044216E-03 0.00000000E+00 0.00000000E+00 2.52204411E-03 3.88632678E-03 0.00000000E+00 0.00000000E+00 2.77279089E-03 0.00000000E+00 4.34226561E-03 -1.15945938E-02 -1.28231163E-02 0.00000000E+00 0.00000000E+00 1.65319037E-02 0.00000000E+00 0.00000000E+00 -6.37362733E-03 2.50675982E-03 0.00000000E+00 0.00000000E+00 2.22295598E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.53908448E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.52007031E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 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1.34338521E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.11540472E-05 0.00000000E+00 0.00000000E+00 -3.53777141E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.33124292E-05 0.00000000E+00 0.00000000E+00 1.01996547E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 9.01686388E-05 0.00000000E+00 0.00000000E+00 1.48367088E-04 0.00000000E+00 5.04744466E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.92888973E-05 0.00000000E+00 0.00000000E+00 9.65767672E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.01764578E-04 0.00000000E+00 0.00000000E+00 5.97673721E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.19102608E-04 0.00000000E+00 0.00000000E+00 -1.58102006E-04 0.00000000E+00 7.56657434E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.08566488E-05 0.00000000E+00 0.00000000E+00 2.73737523E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.27323345E-03 0.00000000E+00 0.00000000E+00 -2.87776987E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -6.93548624E-04 0.00000000E+00 0.00000000E+00 -1.16409196E-03 0.00000000E+00 -9.62166294E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.89457543E-04 0.00000000E+00 0.00000000E+00 -2.68612402E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.54367541E-03 0.00000000E+00 0.00000000E+00 1.54985176E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.46929525E-04 0.00000000E+00 0.00000000E+00 2.88993976E-04 0.00000000E+00 -8.64400439E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.87989239E-04 0.00000000E+00 0.00000000E+00 -3.50478848E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 4.90264684E-04 0.00000000E+00 0.00000000E+00 2.54904324E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 -2.39036979E-06 0.00000000E+00 0.00000000E+00 -7.36757321E-06 0.00000000E+00 -8.54249530E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.58130900E-06 0.00000000E+00 0.00000000E+00 2.76477011E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.08183258E-04 0.00000000E+00 0.00000000E+00 4.16257303E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.78124346E-05 0.00000000E+00 0.00000000E+00 2.16417943E-05 0.00000000E+00 1.07946333E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.78333804E-05 0.00000000E+00 0.00000000E+00 -1.09567765E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.50874610E-03 0.00000000E+00 0.00000000E+00 1.08895721E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.49906489E-05 0.00000000E+00 0.00000000E+00 -1.04688431E-04 0.00000000E+00 4.78372276E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.63868619E-05 0.00000000E+00 0.00000000E+00 -8.55364295E-05 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.09080133E-02 0.00000000E+00 0.00000000E+00 7.26708641E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.57702417E-04 0.00000000E+00 0.00000000E+00 4.56593289E-04 0.00000000E+00 2.31925522E-04 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.51307377E-04 0.00000000E+00 0.00000000E+00 5.30860222E-04 Cartesian Gradient R N= 30 -7.35374647E-16 -1.03251159E-14 6.58206953E-05 -4.80480429E-16 -4.44047413E-16 -6.58206952E-05 2.38939890E-15 -4.60336401E-05 1.44710822E-05 3.43114132E-15 4.60336402E-05 1.44710821E-05 2.90290089E-15 4.60336401E-05 -1.44710821E-05 -5.74958300E-16 -4.60336402E-05 -1.44710820E-05 -2.12890627E-15 5.97406490E-06 -1.63582501E-05 -2.07539200E-15 -5.97406471E-06 -1.63582501E-05 -2.43775923E-16 5.97406491E-06 1.63582500E-05 -2.48455354E-15 -5.97406475E-06 1.63582499E-05 Dipole Moment R N= 3 3.18439820E-16 4.41487125E-16 -8.54980149E-15 Anisotropic Hyperfine tensors R N= 60 2.51409460E-01 -3.36250439E-18 -1.05558725E-01 -7.89354224E-18 1.14144805E-15 -1.45850736E-01 2.51409460E-01 -9.34459599E-18 -1.05558725E-01 -3.20960107E-17 1.34444539E-13 -1.45850736E-01 -2.40641646E-01 4.55308838E-18 2.44614825E-01 -1.32080069E-18 2.26723537E-01 -3.97317844E-03 -2.40641646E-01 -2.63948969E-18 2.44614825E-01 5.33526012E-18 -2.26723537E-01 -3.97317844E-03 -2.40641646E-01 -2.52996858E-18 2.44614825E-01 -1.51989451E-17 2.26723537E-01 -3.97317844E-03 -2.40641646E-01 -4.20952719E-18 2.44614825E-01 -2.49988317E-18 -2.26723537E-01 -3.97317844E-03 7.24835103E-01 1.43625573E-18 -5.54264038E-01 -3.97724310E-18 -3.26099149E-01 -1.70571065E-01 7.24835103E-01 -1.82414734E-17 -5.54264038E-01 1.35692360E-17 3.26099149E-01 -1.70571065E-01 7.24835103E-01 -1.04733578E-17 -5.54264038E-01 4.35955785E-18 3.26099149E-01 -1.70571065E-01 7.24835103E-01 -1.37355620E-17 -5.54264038E-01 -1.23870000E-17 -3.26099149E-01 -1.70571065E-01 Isotropic Hyperfine splittings R N= 10 7.73463764E-02 7.73463764E-02 -1.43938271E-01 -1.43938271E-01 -1.43938271E-01 -1.43938271E-01 1.38935389E-01 1.38935389E-01 1.38935389E-01 1.38935389E-01 QEq coupling tensors R N= 60 -4.62218345E-01 1.10293498E-16 2.09657369E-01 -9.86176176E-17 -2.93515212E-15 2.52560976E-01 -4.62218345E-01 1.87443417E-16 2.09657369E-01 -3.65287688E-17 1.61717861E-13 2.52560976E-01 -8.81775423E-02 2.24731671E-17 1.18720678E-01 -7.34124877E-18 1.37631484E-01 -3.05431356E-02 -8.81775423E-02 3.28917568E-17 1.18720678E-01 -1.76276401E-17 -1.37631484E-01 -3.05431356E-02 -8.81775423E-02 1.00818541E-16 1.18720678E-01 8.00289944E-17 1.37631484E-01 -3.05431356E-02 -8.81775423E-02 4.86817872E-17 1.18720678E-01 -9.52568845E-18 -1.37631484E-01 -3.05431356E-02 -8.30974721E-01 7.61788852E-18 8.10902801E-01 -8.16774987E-18 6.60544313E-01 2.00719196E-02 -8.30974721E-01 3.43922833E-16 8.10902801E-01 -1.92204831E-16 -6.60544313E-01 2.00719196E-02 -8.30974721E-01 2.08941202E-16 8.10902801E-01 -1.15821537E-16 -6.60544313E-01 2.00719196E-02 -8.30974721E-01 3.39117277E-16 8.10902801E-01 2.06617397E-16 6.60544313E-01 2.00719196E-02 Mulliken Charges R N= 10 2.26557214E+00 2.26557214E+00 -7.52819591E-01 -7.52819591E-01 -7.52819591E-01 -7.52819591E-01 -1.29966481E-01 -1.29966481E-01 -1.29966481E-01 -1.29966481E-01 Optimization MaxStp I 100 Optimization Job offset I 0 Optimization Num results per geometry I 2 Optimization Num geometry variables I 30 Opt point 1 Results for each geome R N= 16 0.00000000E+00 0.00000000E+00 -4.44416708E+02 0.00000000E+00 -4.44525261E+02 0.00000000E+00 -4.44571498E+02 0.00000000E+00 -4.44575883E+02 0.00000000E+00 -4.44576278E+02 0.00000000E+00 -4.44576381E+02 0.00000000E+00 -4.44576381E+02 0.00000000E+00 Opt point 1 Geometries R N= 240 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.84889275E-32 0.00000000E+00 1.35583287E+00 1.66041638E-16 0.00000000E+00 -1.35583287E+00 -2.46519033E-32 2.35064053E+00 2.69848737E+00 -2.87870440E-16 -2.35064053E+00 2.69848737E+00 -2.87870440E-16 -2.35064053E+00 -2.69848737E+00 3.30469392E-16 2.35064053E+00 -2.69848737E+00 -2.46519033E-32 4.58897221E+00 3.97310765E+00 -5.61987013E-16 -4.58897221E+00 3.97310765E+00 4.86565357E-16 4.58897221E+00 -3.97310765E+00 -5.61987013E-16 -4.58897221E+00 -3.97310765E+00 6.16297582E-32 0.00000000E+00 1.33572476E+00 1.63579105E-16 0.00000000E+00 -1.33572476E+00 -2.21867130E-31 2.31867621E+00 2.64003910E+00 -2.83955940E-16 -2.31867621E+00 2.64003910E+00 -2.83955940E-16 -2.31867621E+00 -2.64003910E+00 3.23311544E-16 2.31867621E+00 -2.64003910E+00 1.47911420E-31 4.38811204E+00 3.79555112E+00 -5.37388736E-16 -4.38811204E+00 3.79555112E+00 4.64820953E-16 4.38811204E+00 -3.79555112E+00 -5.37388736E-16 -4.38811204E+00 -3.79555112E+00 2.46519033E-32 0.00000000E+00 1.31561666E+00 1.61116573E-16 -7.88860905E-31 -1.31561666E+00 -9.86076132E-32 2.28631200E+00 2.58206855E+00 -2.79992468E-16 -2.28631200E+00 2.58206855E+00 -2.79992468E-16 -2.28631200E+00 -2.58206855E+00 3.16212199E-16 2.28631200E+00 -2.58206855E+00 5.91645679E-31 4.18502020E+00 3.62140929E+00 -5.12517159E-16 -4.18502020E+00 3.62140929E+00 4.43494729E-16 4.18502020E+00 -3.62140929E+00 -5.12517159E-16 -4.18502020E+00 -3.62140929E+00 4.49200962E-33 0.00000000E+00 1.35601995E+00 1.66064550E-16 0.00000000E+00 -1.35601995E+00 6.76977928E-31 2.31433411E+00 2.69818095E+00 -2.83424186E-16 -2.31433411E+00 2.69818095E+00 -2.83424186E-16 -2.31433411E+00 -2.69818095E+00 3.30431867E-16 2.31433411E+00 -2.69818095E+00 1.26397467E-30 4.20279666E+00 3.77392971E+00 -5.14694148E-16 -4.20279666E+00 3.77392971E+00 4.62173094E-16 4.20279666E+00 -3.77392971E+00 -5.14694148E-16 -4.20279666E+00 -3.77392971E+00 -1.84889275E-32 0.00000000E+00 1.33964858E+00 1.64059634E-16 0.00000000E+00 -1.33964858E+00 5.30015921E-31 2.30550283E+00 2.67373052E+00 -2.82342666E-16 -2.30550283E+00 2.67373052E+00 -2.82342666E-16 -2.30550283E+00 -2.67373052E+00 3.27437552E-16 2.30550283E+00 -2.67373052E+00 -8.13512809E-31 4.20689186E+00 3.75498104E+00 -5.15195665E-16 -4.20689186E+00 3.75498104E+00 4.59852552E-16 4.20689186E+00 -3.75498104E+00 -5.15195665E-16 -4.20689186E+00 -3.75498104E+00 -4.36692824E-33 0.00000000E+00 1.33905183E+00 1.63986554E-16 0.00000000E+00 -1.33905183E+00 -4.68466830E-31 2.30352163E+00 2.67944507E+00 -2.82100039E-16 -2.30352163E+00 2.67944507E+00 -2.82100039E-16 -2.30352163E+00 -2.67944507E+00 3.28137383E-16 2.30352163E+00 -2.67944507E+00 -2.06009641E-32 4.19695794E+00 3.76128108E+00 -5.13979110E-16 -4.19695794E+00 3.76128108E+00 4.60624084E-16 4.19695794E+00 -3.76128108E+00 -5.13979110E-16 -4.19695794E+00 -3.76128108E+00 -4.31408308E-32 -6.31088724E-30 1.33917486E+00 1.64001620E-16 3.15544362E-30 -1.33917486E+00 -1.38050658E-30 2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 2.68040570E+00 -2.82010824E-16 -2.30279314E+00 -2.68040570E+00 3.28255026E-16 2.30279314E+00 -2.68040570E+00 -2.56379794E-30 4.19555311E+00 3.76322508E+00 -5.13807068E-16 -4.19555311E+00 3.76322508E+00 4.60862155E-16 4.19555311E+00 -3.76322508E+00 -5.13807068E-16 -4.19555311E+00 -3.76322508E+00 Opt point 1 Gradient at each geome R N= 240 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -1.44355406E-16 3.55271368E-14 -9.13285388E-03 -1.17068239E-15 -3.24185123E-14 9.13285388E-03 1.67996744E-15 -1.06662988E-01 -5.92275189E-02 2.67144270E-15 1.06662988E-01 -5.92275189E-02 3.06031203E-15 1.06662988E-01 5.92275189E-02 -6.32952435E-16 -1.06662988E-01 5.92275189E-02 -1.70823910E-15 1.22494236E-01 7.00392054E-02 -1.44208455E-15 -1.22494236E-01 7.00392054E-02 -5.00069804E-16 1.22494236E-01 -7.00392054E-02 -1.81333848E-15 -1.22494236E-01 -7.00392054E-02 -1.30442237E-16 -6.32827124E-15 -4.74832235E-03 -9.03164271E-16 6.21724894E-15 4.74832235E-03 1.99259773E-15 -9.64915992E-02 -5.64162008E-02 3.23169826E-15 9.64915992E-02 -5.64162008E-02 2.93316041E-15 9.64915992E-02 5.64162008E-02 -7.01967338E-16 -9.64915992E-02 5.64162008E-02 -1.96718544E-15 9.64743756E-02 5.40085733E-02 -1.84058601E-15 -9.64743756E-02 5.40085733E-02 -3.86952591E-16 9.64743756E-02 -5.40085733E-02 -2.22715851E-15 -9.64743756E-02 -5.40085733E-02 -8.05719581E-16 1.15463195E-14 3.73693840E-03 -7.32103061E-16 -3.17523785E-14 -3.73693840E-03 2.47469200E-15 -3.43267372E-03 -1.01844131E-02 3.83503388E-15 3.43267372E-03 -1.01844131E-02 3.37749429E-15 3.43267372E-03 1.01844131E-02 -6.45173665E-16 -3.43267372E-03 1.01844131E-02 -2.28904119E-15 -1.72582590E-02 -9.06468007E-03 -2.19187946E-15 1.72582590E-02 -9.06468007E-03 -4.31719195E-16 -1.72582590E-02 9.06468007E-03 -2.59158402E-15 1.72582590E-02 9.06468007E-03 -7.43413837E-16 -1.77635684E-15 1.04426959E-02 -3.39654350E-16 2.10942375E-15 -1.04426959E-02 2.35501099E-15 1.12885664E-02 6.51570177E-03 3.33301422E-15 -1.12885664E-02 6.51570177E-03 2.81686155E-15 -1.12885664E-02 -6.51570177E-03 -4.96318828E-16 1.12885664E-02 -6.51570177E-03 -2.10681382E-15 -6.56187915E-03 -3.71321611E-03 -2.09767864E-15 6.56187915E-03 -3.71321611E-03 -2.06127010E-16 -6.56187915E-03 3.71321611E-03 -2.51488027E-15 6.56187915E-03 3.71321611E-03 -6.96262709E-16 1.14352972E-14 1.28271843E-03 -4.73238672E-16 -2.48689958E-14 -1.28271843E-03 2.35602819E-15 -5.93535538E-03 -4.15788781E-03 3.41545492E-15 5.93535538E-03 -4.15788781E-03 2.88482383E-15 5.93535538E-03 4.15788781E-03 -5.63140074E-16 -5.93535538E-03 4.15788780E-03 -2.12197380E-15 5.93148374E-03 3.40266650E-03 -2.07095848E-15 -5.93148374E-03 3.40266650E-03 -2.51790304E-16 5.93148374E-03 -3.40266650E-03 -2.47894291E-15 -5.93148374E-03 -3.40266650E-03 -7.31743414E-16 1.86517468E-14 -5.49861758E-05 -4.76961410E-16 5.77315973E-15 5.49861759E-05 2.38656649E-15 2.12841923E-05 -7.60281135E-05 3.42918027E-15 -2.12841922E-05 -7.60281135E-05 2.90216428E-15 -2.12841923E-05 7.60281135E-05 -5.71087310E-16 2.12841921E-05 7.60281135E-05 -2.12908897E-15 9.21263566E-05 3.43372586E-05 -2.07742176E-15 -9.21263564E-05 3.43372585E-05 -2.44882441E-16 9.21263565E-05 -3.43372586E-05 -2.48672575E-15 -9.21263565E-05 -3.43372587E-05 -7.35376735E-16 -1.03250741E-14 6.58206953E-05 -4.80478340E-16 -4.44089210E-16 -6.58206952E-05 2.38939764E-15 -4.60336401E-05 1.44710822E-05 3.43114166E-15 4.60336402E-05 1.44710821E-05 2.90290215E-15 4.60336401E-05 -1.44710821E-05 -5.74958639E-16 -4.60336402E-05 -1.44710820E-05 -2.12890564E-15 5.97406490E-06 -1.63582501E-05 -2.07539159E-15 -5.97406471E-06 -1.63582501E-05 -2.43776339E-16 5.97406491E-06 1.63582500E-05 -2.48455416E-15 -5.97406475E-06 1.63582499E-05 Optimization Number of geometries I N= 1 8