Task GeometryOptimization
GeometryOptimization
    Method Quasi-Newton
    SCMGO
        Step
            TrustRadius 0.001
            VariableTrustRadius No
        End
    End
    CoordinateType Cartesian
End
System
    Atoms
        H -3.54139459 -3.1474001 2.28083541 
        C 1.27172727 5.15944986 2.28083541 
        H 8.728901459999999 3.89573943 2.28083541 
        H 8.71751388 -0.9797829300000001 2.28083541 
        H -4.7955988 3.91635869 2.28083541 
        C -1.57581745 2.70101244 2.28083541 
        C -3.70745089 -0.9884247 2.28083541 
        C 0.55616519 3.92567455 2.28083541 
        C 5.54960827 5.14878414 2.28083541 
        C 2.69082458 2.70089788 2.28083541 
        H -1.04561986 6.09523723 2.28083541 
        C 1.26275699 -2.2223209 2.28083541 
        H 8.71751388 1.45847447 2.28083541 
        C -0.8678520199999999 1.46872836 2.28083541 
        C -0.8678520199999999 -0.99003682 2.28083541 
        C -0.86922565 3.92567455 2.28083541 
        C 7.65893024 3.903587 2.28083541 
        C 3.39439043 1.46711624 2.28083541 
        C 0.55479156 1.46872836 2.28083541 
        C -3.00388504 -2.22220634 2.28083541 
        C -3.01209983 5.15972013 2.28083541 
        C 6.96775886 -2.20799572 2.28083541 
        C 4.81838472 -0.98675385 2.28083541 
        C 6.96311136 0.23934577 2.28083541 
        C 2.69903937 5.15972013 2.28083541 
        C 2.68675606 0.23934577 2.28083541 
        H -4.78744804 -0.9859432299999999 2.28083541 
        H 3.22833413 -3.1474001 2.28083541 
        H 0.7268079200000001 -3.14841949 2.28083541 
        H 3.23704638 6.08462469 2.28083541 
        C -2.99981652 0.23934577 2.28083541 
        H 5.02311743 6.08029227 2.28083541 
        C 3.40255394 3.92216291 2.28083541 
        C -3.00388504 2.70089788 2.28083541 
        C 6.9849423 5.13107122 2.28083541 
        C 5.52739631 2.69485579 2.28083541 
        C -1.58478773 5.15944986 2.28083541 
        C 4.83014883 3.91966952 2.28083541 
        C 2.69082458 -2.22220634 2.28083541 
        C 0.55479156 -0.99003682 2.28083541 
        C 1.26275699 2.70101244 2.28083541 
        C -3.7156144 3.92216291 2.28083541 
        H 7.53552623 6.04854456 2.28083541 
        H 0.7325594 6.09523723 2.28083541 
        C -1.57456642 0.23934577 2.28083541 
        C 1.26150596 0.23934577 2.28083541 
        C 4.81838472 1.46544539 2.28083541 
        C 5.52177849 0.23934577 2.28083541 
        C 3.39439043 -0.9884247 2.28083541 
        C -1.57581745 -2.2223209 2.28083541 
        H -4.78744804 1.46463477 2.28083541 
        C 7.64751581 -0.9818133999999999 2.28083541 
        H -3.55010684 6.08462469 2.28083541 
        C 6.96775886 2.68668726 2.28083541 
        C 5.52739631 -2.21616425 2.28083541 
        C 7.64751581 1.46050494 2.28083541 
        H 4.99480264 -3.14419657 2.28083541 
        H -1.03986838 -3.14841949 2.28083541 
        C -3.70745089 1.46711624 2.28083541 
        H 7.51341598 -3.12840775 2.28083541 
    End
    BondOrders
         1 20 1.0
         2 8 1.0
         2 25 2.0
         2 44 1.0
         3 17 1.0
         4 52 1.0
         5 42 1.0
         6 14 1.0
         6 16 2.0
         6 34 1.0
         7 20 2.0
         7 27 1.0
         7 31 1.0
         8 16 1.0
         8 41 2.0
         9 32 1.0
         9 35 1.5
         9 38 1.5
         10 18 1.0
         10 33 2.0
         10 41 1.0
         11 37 1.0
         12 29 1.0
         12 39 1.0
         12 40 2.0
         13 56 1.0
         14 19 1.0
         14 45 2.0
         15 40 1.0
         15 45 1.0
         15 50 2.0
         16 37 1.0
         17 35 1.5
         17 54 1.5
         18 26 2.0
         18 47 1.0
         19 41 1.0
         19 46 2.0
         20 50 1.0
         21 37 2.0
         21 42 1.0
         21 53 1.0
         22 52 1.5
         22 55 1.5
         22 60 1.0
         23 48 1.5
         23 49 1.0
         23 55 1.5
         24 48 1.0
         24 52 1.5
         24 56 1.5
         25 30 1.0
         25 33 1.0
         26 46 1.0
         26 49 1.0
         28 39 1.0
         31 45 1.0
         31 59 2.0
         33 38 1.0
         34 42 2.0
         34 59 1.0
         35 43 1.0
         36 38 1.5
         36 47 1.5
         36 54 1.0
         39 49 2.0
         40 46 1.0
         47 48 1.5
         50 58 1.0
         51 59 1.0
         54 56 1.5
         55 57 1.0
    End
End

Engine ADF
    Basis
        Type DZP
        Core Small
    End
    XC
        GGA BP86
        DISPERSION GRIMME4
    End
    Relativity
        Level None
    End
    NumericalQuality VeryGood
EndEngine
