Task GeometryOptimization
System
    Atoms
        C 37.73150061 -19.45525219 23.16263894 
        H 39.59748027 -16.62810662 22.91092842 
        C 46.20254767 -18.09638 23.57787314 
        N 42.65089092 -20.42195811 23.70564734 
        C 38.73627803 -17.28426083 22.92867271 
        N 41.34158166 -18.5122159 23.31860943 
        C 43.74369895 -16.87038216 23.26118845 
        H 44.89439919 -15.07287735 23.0143975 
        C 36.48157891 -18.87598544 22.96393217 
        N 40.32282158 -20.61623166 23.53734626 
        H 43.94586824 -25.05941529 24.57492185 
        C 38.88242003 -18.66131039 23.140384 
        H 37.78970846 -20.52423406 23.32540793 
        C 37.46168061 -16.74127774 22.73691634 
        H 35.63681226 -19.53394879 22.99117445 
        N 36.34751172 -17.53293627 22.74470871 
        H 37.38893335 -15.68241891 22.58298503 
        C 43.79320775 -18.25687344 23.47676424 
        H 42.79901392 -16.35983619 23.12378389 
        H 45.13350234 -19.92822408 23.82163319 
        C 41.53541672 -21.18843403 23.72072172 
        C 40.21557341 -19.27532825 23.33783714 
        N 46.13901921 -16.75332356 23.34481819 
        C 45.04401705 -18.86353239 23.64582045 
        C 42.56340282 -19.0802863 23.5035443 
        H 47.14027281 -18.60332024 23.70585865 
        C 44.93390494 -16.13760757 23.19382758 
        C 40.63188048 -24.83262955 24.20562674 
        C 42.88448462 -23.22792747 24.20728412 
        C 41.62882128 -22.64274009 23.97892602 
        H 43.78760548 -22.63098855 24.20537572 
        H 39.50467428 -23.05948701 23.82707516 
        N 41.86175483 -25.38983677 24.40331408 
        C 40.49524829 -23.46493612 23.99096621 
        H 39.73750058 -25.42655221 24.19949415 
        C 42.97725739 -24.60895962 24.41278299 
    End
    BondOrders
         1 9 1.5
         1 12 1.5
         1 13 1.0
         2 5 1.0
         3 23 1.5
         3 24 1.5
         3 26 1.0
         4 21 1.5
         4 25 1.5
         5 12 1.5
         5 14 1.5
         6 22 1.5
         6 25 1.5
         7 18 1.5
         7 19 1.0
         7 27 1.5
         8 27 1.0
         9 15 1.0
         9 16 1.5
         10 21 1.5
         10 22 1.5
         11 36 1.0
         12 22 1.0
         14 16 1.5
         14 17 1.0
         18 24 1.5
         18 25 1.0
         20 24 1.0
         21 30 1.0
         23 27 1.5
         28 33 1.5
         28 34 1.5
         28 35 1.0
         29 30 1.5
         29 31 1.0
         29 36 1.5
         30 34 1.5
         32 34 1.0
         33 36 1.5
    End
End

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