Task GeometryOptimization
System
    Atoms
        C -18.56029626 -1.48216395 -5.95066077 
        O -17.73410207 -5.04417271 -2.22185214 
        O -18.63969729 -7.98450144 -5.09741887 
        C -17.75405907 -2.56212863 -5.61090846 
        O -19.88839183 -6.09516168 -4.93438141 
        N -17.61897666 -2.98183699 -4.32951447 
        H -14.6202176 -8.312987209999999 -0.72766653 
        H -13.59399013 -1.81102508 0.22069628 
        C -18.2940557 -2.31938587 -3.3607458 
        H -19.89542354 0.04758768 -5.19489242 
        H -15.73127957 -3.01954324 0.77072039 
        C -14.04711473 -3.14677192 -4.28839016 
        H -13.44085748 -9.663613059999999 -2.50562686 
        N -14.97968468 -3.89910802 -4.9725127 
        C -19.25673747 -0.80122867 -4.95189025 
        H -19.04187682 -6.93926629 -8.026281190000001 
        H -17.55928577 -5.84205253 -9.72804741 
        C -18.9111491 -6.77438856 -5.35664451 
        C -13.98982825 -8.75768276 -2.75894899 
        C -14.06724561 -8.31096703 -4.07737842 
        C -14.76452321 -7.14446975 -4.37061476 
        N -15.37557887 -6.40419655 -3.41388118 
        C -15.31400862 -6.85425251 -2.13538866 
        C -14.63629609 -8.011813760000001 -1.77377392 
        H -13.58700386 -8.854520320000001 -4.88971495 
        H -14.82211194 -6.77557307 -5.39465628 
        H -15.82203767 -6.26261811 -1.37894118 
        C -19.11545747 -1.23301254 -3.63336945 
        H -18.63071485 -1.18402611 -6.99586384 
        H -17.17820961 -3.10745011 -6.36159385 
        H -18.17226966 -2.6729816 -2.3403335 
        C -14.97940482 -3.99147306 -6.32791612 
        C -13.97202898 -3.36181307 -7.05811265 
        C -12.97995038 -2.64758357 -6.3873914 
        C -13.01756032 -2.52832546 -4.99528135 
        H -13.9644003 -3.42295392 -8.142224390000001 
        C -16.00173221 -3.68939964 -1.25256361 
        N -15.50332053 -3.69277616 -2.50305616 
        H -12.1747626 -2.17401599 -6.94698554 
        C -14.34790014 -3.03844096 -2.8519662 
        C -13.64306498 -2.34933255 -1.86349446 
        C -14.13880682 -2.34416479 -0.55658153 
        H -12.26768731 -1.94328787 -4.4667754 
        C -16.10321722 -4.77879297 -6.84845146 
        N -16.94744526 -5.34079477 -5.90623208 
        C -17.97121396 -6.10335354 -6.35525967 
        C -18.20381514 -6.31371121 -7.72218607 
        H -19.63415543 -0.7405129499999999 -2.8123615 
        C -17.37881612 -5.7111552 -8.661675239999999 
        C -16.31378921 -4.93501998 -8.21313344 
        Ru -16.42341511 -4.65198011 -3.93035883 
        H -15.64962046 -4.44312385 -8.91801895 
        C -15.32866601 -3.01404465 -0.24078573 
        C -17.2978317 -4.47705427 -1.13050842 
        H -12.72242874 -1.82342824 -2.10940048 
        O -17.86774542 -4.53973744 -0.02120637 
    End
    BondOrders
         1 4 1.5
         1 15 1.5
         1 29 1.0
         2 54 1.5
         3 18 1.5
         4 6 1.5
         4 30 1.0
         5 18 1.5
         6 9 1.5
         7 24 1.0
         8 42 1.0
         9 28 1.5
         9 31 1.0
         10 15 1.0
         11 53 1.0
         12 14 1.0
         12 35 1.5
         12 40 1.5
         13 19 1.0
         14 32 1.0
         15 28 1.5
         16 47 1.0
         17 49 1.0
         18 46 1.0
         19 20 1.5
         19 24 1.5
         20 21 1.5
         20 25 1.0
         21 22 1.5
         21 26 1.0
         22 23 1.5
         23 24 1.5
         23 27 1.0
         28 48 1.0
         32 33 1.5
         32 44 1.5
         33 34 1.5
         33 36 1.0
         34 35 1.5
         34 39 1.0
         35 43 1.0
         37 38 1.5
         37 53 1.5
         37 54 1.0
         38 40 1.0
         40 41 1.5
         41 42 1.5
         41 55 1.0
         42 53 1.5
         44 45 1.0
         44 50 1.5
         45 46 1.5
         46 47 1.5
         47 49 1.5
         49 50 1.5
         50 52 1.0
         51 2 1.0
         51 6 1.0
         51 14 1.0
         51 22 1.0
         51 38 1.0
         51 45 1.0
         54 56 1.5
    End
End

Engine ADF
    Basis
        Type DZP
        Core Small
    End
    XC
        GGA BP86
        DISPERSION GRIMME4
    End
EndEngine
