$orca_opt_file $trust 0.300000000000 $epredict 0.000000000000 $ediffsc 1000.000000000000 $ctyp 3 $coordinates 4 9 1.98799189 0.00088817 0.18438058 4.24999408 0.00088817 0.18438058 6.51199626 0.00088817 0.18438058 2.04568896 0.00088817 0.18438058 4.24999407 0.00088817 0.18438058 6.45429920 0.00088817 0.18438058 2.05236544 0.00088817 0.18438058 4.24999403 0.00088817 0.18438057 6.44762275 0.00088817 0.18438058 2.05162112 0.00088817 0.18438058 4.24999366 0.00088817 0.18438057 6.44836745 0.00088817 0.18438058 # redundant internal coordinates # nbonds nangles ndihedrals nimpropers ncartesians # bond definitions A B # angle definitions A B C # dihedral definitions A B C D # improper torsion definitions A B C D # cartesian definitions A x/y/z $redundant_internals 2 2 0 0 0 1 0 0 2 1 0 0 1 2 -8 0 0 1 2 -4 0 $energies 4 -188.3560728084584639 -188.3604090030537179 -188.3604497811382998 -188.3604503522372795 $gradients 4 9 -0.0660464538439282 0.0000000053304393 0.0000000001716335 0.0000000128165979 0.0000000022640539 0.0000000026807788 0.0660464549296912 -0.0000000161230601 -0.0000000078716251 -0.0068505804958569 0.0000000053495906 -0.0000000149072329 0.0000001199697298 -0.0000000003533555 -0.0000000010682996 0.0068504632637335 0.0000000035999274 0.0000000055705466 0.0008590760165977 0.0000000043006531 -0.0000000143543937 0.0000014546664970 0.0000000003891685 -0.0000000038394442 -0.0008605282115356 0.0000000010853741 0.0000000041938126 -0.0000082136982629 0.0000000047182270 -0.0000000144218323 -0.0000011585474631 0.0000000026750576 -0.0000000057815938 0.0000093738124540 0.0000000018118397 0.0000000052452088 $redundant_coords 4 4 2.2620021823037382 2.2620021823037373 3.1415926535897931 3.1415926535897931 2.2043051168065126 2.2043051239545850 3.1415926535897931 3.1415926535897931 2.1976285904240038 2.1976287143764415 3.1415926535897931 3.1415926535897931 2.1983725358524921 2.1983737944425048 3.1415926535897931 3.1415926535897931 $redundant_gradients 4 4 0.0660464584780485 0.0660464502955709 0.0000000025534548 -0.0000000021769249 0.0068505814083924 0.0068504623511980 -0.0000000015947643 -0.0000000012124678 -0.0008590751927447 -0.0008605290353886 -0.0000000007682665 -0.0000000004112485 0.0000082142205056 0.0000093732902113 -0.0000000001966618 0.0000000003977327 $hessian_approx 9 9 0 1 2 3 4 5 0 1.150980 -0.000000 0.000000 -1.136192 -0.000002 0.000001 1 -0.000000 0.535644 -0.000000 -0.000000 -1.071288 -0.000000 2 0.000000 -0.000000 0.535644 0.000000 -0.000000 -1.071288 3 -1.136192 -0.000000 0.000000 2.274183 -0.000000 0.000000 4 -0.000002 -1.071288 -0.000000 -0.000000 2.142575 -0.000000 5 0.000001 -0.000000 -1.071288 0.000000 -0.000000 2.142575 6 -0.014788 0.000000 -0.000000 -1.137992 0.000002 -0.000001 7 -0.000000 0.535644 -0.000000 -0.000000 -1.071288 -0.000000 8 -0.000001 0.000000 0.535644 -0.000000 0.000000 -1.071288 6 7 8 0 -0.014788 -0.000000 -0.000001 1 0.000000 0.535644 0.000000 2 -0.000000 -0.000000 0.535644 3 -1.137992 -0.000000 -0.000000 4 0.000002 -1.071288 0.000000 5 -0.000001 -0.000000 -1.071288 6 1.152778 0.000000 0.000001 7 0.000000 0.535644 0.000000 8 0.000001 0.000000 0.535644 $bmatrix 4 9 0 1 2 3 4 5 0 -1.000000 -0.000000 0.000000 1.000000 0.000000 -0.000000 1 0.000000 0.000000 0.000000 -1.000000 0.000000 -0.000000 2 0.000000 -1.000000 0.000000 -0.000000 2.000000 -0.000000 3 0.000000 -0.000000 1.000000 -0.000000 0.000000 -2.000000 6 7 8 0 0.000000 0.000000 0.000000 1 1.000000 -0.000000 0.000000 2 -0.000000 -1.000000 0.000000 3 -0.000000 0.000000 1.000000