Task GeometryOptimization
Constraints
    Block Region_1
    FixedRegion Region_2
End
System
    Atoms
        H 3.81457422 3.33362534 -5.40424502 region=Region_1
        H 1.28110438 7.39477163 -4.26216678 region=Region_1
        H -3.5918504 -3.11961594 2.28083534 region=Region_2
        C 1.28967399 5.12068756 2.28083542 region=Region_2
        H -1.72148465 1.25287501 -4.31114214 region=Region_1
        H 8.783111419999999 3.89759614 2.28083537 region=Region_2
        H 8.7799893 -0.9728648 2.28083537 region=Region_2
        H -4.82445694 3.9066071 2.28083537 region=Region_2
        C 0.46058304 2.39959336 -2.04805491 
        C -0.3297443 2.68722417 -0.93977207 
        C -1.55318861 3.33776025 -1.11261305 
        C -1.59393511 2.69582356 2.28083544 region=Region_2
        C -3.73687108 -0.97990335 2.28083538 region=Region_2
        H 0.24256833 5.13827061 -4.2768434 region=Region_1
        C 0.55194284 3.93317825 2.28083545 region=Region_2
        H 5.0116857 5.51343262 -5.38600049 region=Region_1
        C 5.60295512 5.11945507 2.2808354 region=Region_2
        C 3.61871841 0.6087557 -1.04207765 
        C 2.3816845 1.2481916 -0.93317633 
        C 2.69574946 2.6959923 2.28083546 region=Region_2
        H -1.13824733 6.08787073 2.2808354 region=Region_2
        Ru 1.0484839 2.29777901 -4.86408672 
        C 1.28468525 -2.1861609 2.28083542 region=Region_2
        H 8.76213635 1.46235476 2.28083537 region=Region_2
        H 1.87308472 -0.53605033 -5.42206416 region=Region_1
        C -0.88266121 1.46878233 2.28083546 region=Region_2
        C -1.99074468 3.68482431 -2.39179779 
        H 1.89433625 1.37106029 0.02624203 
        C -0.90340399 -1.00211579 2.28083543 region=Region_2
        C -1.63846476 3.74336438 -7.69212576 
        C -0.89994296 3.93969458 2.28083544 region=Region_2
        C 3.94654882 5.48562023 -5.15250116 region=Region_1
        C 7.69196843 3.91385207 2.28083538 region=Region_2
        C 3.40400303 1.46582769 2.28083546 region=Region_2
        H 0.00164511 2.39688882 0.05027496 
        C -0.54194832 3.16415859 -7.0712812 
        C 0.5512068 1.46777436 2.28083547 region=Region_2
        C -3.04847955 -2.17328713 2.28083537 region=Region_2
        C -3.04328304 5.11391558 2.28083539 region=Region_2
        C 6.99866821 -2.18019117 2.28083539 region=Region_2
        C 4.85519356 -1.00605622 2.28083543 region=Region_2
        C 0.68874577 2.54495027 -7.74875679 
        H -3.40984486 4.57352455 -4.88557176 
        O 0.73019768 2.55838922 -8.9793705 
        C 6.9871027 0.24352533 2.2808354 region=Region_2
        C 2.67048055 5.1197635 2.28083542 region=Region_2
        C 2.69409763 0.23659108 2.28083546 region=Region_2
        C 1.88186896 6.52332839 -4.52093337 region=Region_1
        H -4.82794335 -0.96335773 2.28083536 region=Region_2
        H 3.17564582 -3.14788009 2.28083541 region=Region_2
        O 1.58158967 2.05570971 -6.92922468 
        H 0.77320624 -3.14620655 2.2808354 region=Region_2
        H 3.18194251 6.07980023 2.28083539 region=Region_2
        C -3.0335744 0.25040703 2.28083541 region=Region_2
        O 3.83236807 -0.36634424 -5.33517479 
        C 1.29278884 5.26910277 -4.53264096 region=Region_1
        H 5.0995587 6.08362316 2.2808354 region=Region_2
        N -0.49559158 3.10738022 -5.73155816 
        C 3.40658718 3.93125482 2.28083544 region=Region_2
        H -2.17387626 3.56378353 -0.24671298 
        O 4.85704798 1.67906027 -5.21065325 
        N 1.98341643 4.15189412 -4.85111146 region=Region_1
        H 0.81769673 -2.78638281 -5.47487304 region=Region_1
        C -3.03183662 2.69017161 2.28083542 region=Region_2
        C 7.00334955 5.10715781 2.28083539 region=Region_2
        H -3.5447961 4.71029069 -7.36298676 
        C 5.55083414 2.69096767 2.28083542 region=Region_2
        C 3.29506834 4.25726875 -5.16315122 region=Region_1
        C -1.64278304 5.12439062 2.28083541 region=Region_2
        C 4.85844808 3.93575825 2.28083542 region=Region_2
        H 3.72839013 7.61159295 -4.82538489 region=Region_1
        H -1.65839746 3.78329799 -8.781890430000001 
        C -1.19078082 3.37971793 -3.48996076 
        C 2.66551577 -2.18712014 2.28083543 region=Region_2
        H -1.62872857 -3.01360772 -4.89436508 region=Region_1
        C 0.54852524 -0.99764023 2.28083544 region=Region_2
        C -1.48456819 3.59023196 -4.91109147 
        C 1.26111373 2.69695972 2.28083547 region=Region_2
        C -3.73337292 3.92152107 2.28083539 region=Region_2
        C -2.60293761 4.17755655 -5.50205402 
        N 0.02417717 2.75638854 -3.28521428 
        H 7.54655084 6.05362341 2.28083537 region=Region_2
        C -2.67284564 4.25154877 -6.89493204 
        H 0.77956138 6.08139375 2.2808354 region=Region_2
        C -1.59565818 0.24271919 2.28083544 region=Region_2
        C 3.23684302 6.63761805 -4.83371222 region=Region_1
        H 5.14932238 -0.03696697 -2.42313685 
        C 1.25942648 0.237582 2.28083547 region=Region_2
        H 4.12631171 0.2251589 -0.15855276 
        C 4.12560544 0.73946769 -4.81409866 
        C -1.13843787 -2.03917522 -4.89443344 region=Region_1
        H -2.95291573 4.17694111 -2.53280768 
        C -1.85211094 -0.88666882 -4.56773492 region=Region_1
        C 4.83785705 1.46487185 2.28083544 region=Region_2
        C -1.19583243 0.33413643 -4.56713708 region=Region_1
        C 5.54922582 0.23780814 2.28083543 region=Region_2
        C 3.40330012 -0.99961121 2.28083545 region=Region_2
        C -1.64799923 -2.18574989 2.28083539 region=Region_2
        H -4.80677276 1.47160808 2.28083539 region=Region_2
        C 1.76025255 1.71853453 -2.0794821 
        C 7.68882712 -0.98777765 2.28083538 region=Region_2
        H -3.5853171 6.0609999 2.28083536 region=Region_2
        N 0.11463048 0.44583006 -4.8770472 region=Region_1
        N 2.32672169 1.55875473 -3.32808912 
        C 6.98869449 2.68342941 2.2808354 region=Region_2
        C 0.8109450499999999 -0.66664664 -5.20952005 region=Region_1
        C 0.2087633 -1.91871737 -5.2211841 region=Region_1
        H -2.909088 -0.9263187000000001 -4.30518333 region=Region_1
        C 3.52132466 0.93951975 -3.43420407 
        C 5.59824524 -2.19071609 2.28083541 region=Region_2
        C 4.18838418 0.46006581 -2.29218398 
        C 7.67046746 1.46303541 2.28083539 region=Region_2
        H 5.09367498 -3.15428014 2.28083542 region=Region_2
        H -1.14477821 -3.14997685 2.28083538 region=Region_2
        C -3.7151725 1.47079082 2.28083541 region=Region_2
        H 7.54065657 -3.12735577 2.28083539 region=Region_2
    End
    BondOrders
         1 68 1.0
         2 48 1.0
         3 38 1.0
         4 15 1.5
         4 46 1.5
         4 84 1.0
         5 95 1.0
         6 33 1.0
         7 101 1.0
         8 79 1.0
         9 10 1.5
         9 81 1.0
         9 100 1.5
         10 11 1.5
         10 35 1.0
         11 27 1.5
         11 60 1.0
         12 26 1.5
         12 31 1.5
         12 64 1.0
         13 38 1.5
         13 49 1.0
         13 54 1.5
         14 56 1.0
         15 31 1.0
         15 78 1.5
         16 32 1.0
         17 57 1.0
         17 65 1.5
         17 70 1.5
         18 19 1.5
         18 89 1.0
         18 111 1.5
         19 28 1.0
         19 100 1.5
         20 34 1.5
         20 59 1.5
         20 78 1.0
         21 69 1.0
         22 51 1.0
         22 58 1.0
         22 62 1.0
         22 81 1.0
         22 103 1.0
         22 104 1.0
         23 52 1.0
         23 74 1.5
         23 76 1.5
         24 112 1.0
         25 106 1.0
         26 37 1.0
         26 85 1.5
         27 73 1.5
         27 92 1.0
         29 76 1.0
         29 85 1.5
         29 98 1.5
         30 36 1.5
         30 72 1.0
         30 83 1.5
         31 69 1.5
         32 68 1.5
         32 86 1.5
         33 65 1.5
         33 105 1.5
         34 47 1.5
         34 94 1.0
         36 42 1.0
         36 58 1.5
         37 78 1.5
         37 88 1.5
         38 98 1.5
         39 69 1.5
         39 79 1.5
         39 102 1.0
         40 101 1.5
         40 110 1.5
         40 116 1.0
         41 96 1.5
         41 97 1.0
         41 110 1.5
         42 44 1.5
         42 51 1.5
         43 80 1.0
         45 96 1.0
         45 101 1.5
         45 112 1.5
         46 53 1.0
         46 59 1.5
         47 88 1.0
         47 97 1.5
         48 56 1.5
         48 86 1.5
         50 74 1.0
         54 85 1.0
         54 115 1.5
         55 90 1.5
         56 62 1.5
         58 77 1.0
         59 70 1.0
         61 90 1.5
         62 68 1.5
         63 107 1.0
         64 79 1.5
         64 115 1.5
         65 82 1.0
         66 83 1.0
         67 70 1.5
         67 94 1.5
         67 105 1.0
         71 86 1.0
         73 77 1.5
         73 81 1.0
         74 97 1.5
         75 91 1.0
         76 88 1.5
         77 80 1.5
         80 83 1.5
         87 111 1.0
         90 109 1.0
         91 93 1.5
         91 107 1.5
         93 95 1.5
         93 108 1.0
         94 96 1.5
         95 103 1.5
         98 114 1.0
         99 115 1.0
         100 104 1.0
         103 106 1.5
         104 109 1.5
         105 112 1.5
         106 107 1.5
         109 111 1.5
         110 113 1.0
    End
End

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